Table 1. Mother liquor conditions and results for reported MX scavenger studies where the results from different researchers are inconsistent.
Int = introduction: C = co-crystal, S = soak, N/A = not applicable. Damage: G = global damage, Sp = specific damage. Res = response: N = null, P = positive, S = sensitizing, U = unclear. Damage metrics: A### nm = absorbance peak detected by microspectrophotometry at the specified wavelength, |F n − F 0| = difference electron density maps calculated from the difference in structure factors for the nth dataset and first dataset. The other metrics are defined in the text.
Scavenger | Concentration of scavenger | Temperature | System† | Int | Conditions | Damage | Metric | Res | ||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1,4-Benzoquinone | 0.4 M | 100 K | Disulfide/thiol model solutionsa | N/A | 0.1 M cystine, 0.75 M NaOH, 30% v/v EG, pH 13.3 | Sp | A400 nm | P | ||||||||
0.5 M | RT | Tetragonal HEWL crystalsb | S | 0.1 M NaAc pH 4.5, 4–8% w/v NaCl | G | Average I/I 0 | P | |||||||||
Saturated | 100 K | Azurin crystalsc | S | 5 mM NaAc pH 5.8, 1.85–1.95 M (NH4)2SO4, 0.5 M LiNO3 | Sp | A632 nm | N | |||||||||
Saturated | 100 K | Myoglobin crystalsc | S | 50 mM Tris-HCl pH 7.2–7.4, 1.5–1.6 M (NH4)2SO4, 2.25% v/v PEG | Sp | A413–A427 nm, A500–A700 nm | N | |||||||||
2-Hydroxyethyl methacrylate (HEMA) | 0.01 M | RT | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | S | ||||||||
0.01 M | 100 K | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | N | |||||||||
Ascorbate | >0.3 M | 100 K | Tetragonal HEWL crystalse | C | 0.2 M NaAc pH 4.7 3–7% w/v NaCl, 20% v/v glycerol | Sp | A400 nm | P | ||||||||
0.5 M | 100 K | N9 neuraminidase crystalsf | S | 1.7 M potassium phosphate 40% v/v glycerol | G | Average I/I 0, unit cell | P | |||||||||
Sp | |F n| − |F 0| | |||||||||||||||
0.8 M | 92 K | Free SeMet-containing solutionsg | N/A | 25 mM SeMet, 25% v/v glycerol | Sp | XANES D 1/2 | P | |||||||||
0.3 M | 100 K | Disulfide/thiol model solutionsa | N/A | 0.1 M cystine, 0.75 M NaOH, 30% v/v EG, pH 12.9 | Sp | A400 nm | P | |||||||||
0.5 M | RT | Tetragonal HEWL crystalsb | C | 0.1 M NaAc pH 4.5, 4–8% w/v NaCl | G | Average I/I 0 | P | |||||||||
Sp | |F n| − |F 0| | P | ||||||||||||||
0.2 M | 100 K | Azurin crystalsc | S | 5 mM NaAc pH 5.8, 1.85–1.95 M (NH4)2SO4, 0.5 M LiNO3 | Sp | A632 nm | P | |||||||||
Sp | |F n| − |F 0| | P | ||||||||||||||
G | Average I/I 0 | P | ||||||||||||||
0.2 M | 100 K | Myoglobin crystalsc | S | 50 mM Tris-HCl pH 7.2–7.4, 1.5–1.6 M (NH4)2SO4, 2.25% v/v PEG | Sp | A413–A427 nm, A500–A700 nm | N | |||||||||
1.0 M | 100 K | Tetragonal HEWL crystalsh | C | 0.1 M NaAc pH 4.7, 10% w/v NaCl, 30% v/v glycerol | Sp | |F n| − |F 0| | P | |||||||||
G | Average I/I 0 | P | ||||||||||||||
0.1 M | RT, 100 K | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | N | |||||||||
Cysteine | 0.2 M | 100 K | Azurin crystalsc | S | 5 mM NaAc pH 5.8, 1.85–1.95 M (NH4)2SO4, 0.5 M LiNO3 | Sp | A632 nm | N | ||||||||
|F n| − |F 0| | N | |||||||||||||||
0.2 M | 100 K | Myoglobin crystalsc | S | 50 mM Tris-HCl pH 7.2–7.4, 1.5–1.6 M (NH4)2SO4, 2.25% v/v PEG | Sp | A413–A427 nm, A500–A700 nm | N | |||||||||
0.1 M | RT | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | S | |||||||||
0.1 M | 100 K | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | N | |||||||||
DTNB | 0.2 M | 100 K | Tetragonal HEWL crystalsi | S | 25 mM NaAc pH 4.5, 5% w/v NaCl | Sp | |F n| − |F 0| | U | ||||||||
G | R d | P | ||||||||||||||
0.2 M | 100 K | PPE crystalsi | S | 50 mM NaAc pH 5.1, 100 mM sodium citrate, 20 mM CaCl2 | Sp | |F n| − |F 0| | P | |||||||||
G | R d | P | ||||||||||||||
0.2 M | 100 K | Thaumatin crystalsi | S | 50 mM ADA pH 6.5, 500 mM sodium/potassium tartrate | Sp | |F n| − |F 0| | P | |||||||||
G | R d | P | ||||||||||||||
Glutathione (oxidized) | 0.2 M | 100 K | Tetragonal HEWL crystalsi | S | 25 mM NaAc pH 4.5, 5% w/v NaCl | G | R d | N | ||||||||
0.2 M | 100 K | PPE crystalsi | S | 50 mM NaAc pH 5.1, 100 mM sodium citrate, 20 mM CaCl2 | Sp | |F n| − |F 0| | N | |||||||||
G | R d | S | ||||||||||||||
0.2 M | 100 K | Thaumatin crystalsi | S | 50 mM ADA pH 6.5, 500 mM sodium/potassium tartrate | Sp | |F n| − |F 0| | P | |||||||||
G | R d | |||||||||||||||
HEPES | 0.5 M | 100 K | Disulfide/thiol model solutionsa | N/A | 0.1 M cystine, 0.5 M NaOH, 30% v/v EG, pH 9.66 | Sp | A400 nm | N | ||||||||
0.2 M | 100 K | Azurin crystalsc | S | 5 mM NaAc pH 5.8, 1.85–1.95 M (NH4)2SO4, 0.5 M LiNO3 | Sp | A632 nm | U | |||||||||
|F n| − |F 0| | U | |||||||||||||||
Hydroquinone | 0.1 M | RT | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | S | ||||||||
0.1 M | 100 K | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | N | |||||||||
Nicotinic acid | 0.2 M | 100 K | Tetragonal HEWL crystalsi | S | 25 mM NaAc pH 4.5, 5% w/v NaCl | Sp | |F n| − |F 0| | U | ||||||||
G | R d | P | ||||||||||||||
0.2 M | 100 K | PPE crystalsi | S | 50 mM NaAc pH 5.1, 100 mM sodium citrate, 20 mM CaCl2 | Sp | |F n| − |F 0| | U | |||||||||
G | R d | P | ||||||||||||||
0.2 M | 100 K | Thaumatin crystalsi | S | 50 mM ADA pH 6.5, 500 mM sodium/potassium tartrate | Sp | |F n| − |F 0| | P | |||||||||
G | R d | P | ||||||||||||||
0.15 M | 100 K | Bovine pancreatic trypsin crystalsj | S | 2.5 mg ml−1 benzamidine, 15 mM HEPES, pH 7.0 1.5 mM CaCl2, 10% PEG 8 K 50 mM cacodylate pH 6.5 100 mM ammonium sulfate 7.5% glycerol | G | R d | N | |||||||||
N-tert-Butyl-α-phenylnitrone (PBN) | 0.16 M | RT | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | S | ||||||||
0.16 M | 100 K | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | N | |||||||||
PEG 4000 | 15% | 100 K | Canavalin crystalsk | S | 0.7% NaCl | G | Average I/I 0 | P | ||||||||
20% | 100 K | Fructose 1,6 diphosphatasek | S | – | G | Average I/I 0 | P | |||||||||
12%, 45% | 100 K | Disulfide/thiol model solutionsa | N/A | 0.1 M cystine, 0.75 M NaOH, 30% v/v glycerol, pH 13.59, 13.70 | Sp | A400 nm | N | |||||||||
0.1 M | RT | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | S | |||||||||
0.1 M | 100 K | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | N | |||||||||
Reduced DTT | 0.5 M | 100 K | Disulfide/thiol model solutionsa | N/A | 0.1 M cystine, 0.5 M NaOH, 30% v/v EG, pH 9.5 | Sp | A400 nm | U | ||||||||
Sodium nitrate | 0.02 M | 195 K | β-Galactosidase solutionsl | N/A | 0.01 M phosphate, pH 8.0 | Sp | Mass of native polypeptide | U | ||||||||
0.02 M | RT | β-Galactosidase solutionsl | N/A | 0.01 M phosphate, pH 8.0 | Sp | Mass of native polypeptide | N | |||||||||
1 M | 92 K | Free SeMet-containing solutionsg | N/A | 25 mM SeMet, 25% v/v glycerol | Sp | XANES D 1/2 | P | |||||||||
1% | 40 K | Tetragonal HEWL crystalsm | C | 50 mM NaAc pH 4.5, 0.25 M NaCl 30% v/v EG | Sp | |F n| − |F 0| | P | |||||||||
0.5 M | 100 K | Tetragonal HEWL crystalsh | S | 0.1 M NaAc pH 4.7, 10% w/v NaCl, 30% v/v glycerol | Sp | A400 nm | P | |||||||||
Sp | |F n| − |F 0| | P | ||||||||||||||
G | I/I 0 | P | ||||||||||||||
0.1 M | RT | Tetragonal HEWL crystalsd | S | 0.5 M NaCl | G | ΔB rel | P | |||||||||
0.1 M | 100 K | Tetragonal HEWL crystalsd | S | 0.5 M NaCl | G | ΔB rel | N | |||||||||
Styrene | 0.002 M | RT | DOB immunoglobulin crystalsn,o | C | 70% 0.1 M sodium borate, pH 8.4 | G | I/I 0 for 2 or 3 reflections | P | ||||||||
Saturated | 100 K | Tetragonal HEWL crystalse | C | 25 mM NaAc pH 4.5, 0.5 M NaCl, 30% MPEG 5K 10% v/v glycerol | Sp | |F n| − |F 0| | N | |||||||||
G | Average I/I 0 | N | ||||||||||||||
0.1 M | RT | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | S | |||||||||
0.1 M | 100 K | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | N | |||||||||
Thiourea | 0.5 M | 100 K | Disulfide/thiol model solutionsa | N/A | 0.1 M cystine, 0.25 M NaOH, 30% v/v EG, pH 10.87 | Sp | A400 nm | U | ||||||||
0.2 M | 100 K | Azurin crystalsc | S | 5 mM NaAc pH 5.8, 1.85–1.95 M (NH4)2SO4, 0.5 M LiNO3 | G | A632 nm | U | |||||||||
0.4 M | RT, 100 K | Tetragonal HEWL crystalsd | C | 0.5 M NaCl | G | ΔB rel | N | |||||||||
Trehalose | 1 M | 100K | Disulfide/thiol model solutionsa | N/A | 0.1 M cystine, 0.25 M NaOH, 30% v/v glycerol, pH 12.1 | Sp | A400 nm | N | ||||||||
Tris | 0.02 M | RT | β-Galactosidase solutionsl | N/A | 0.01 M phosphate, pH 8.0 | Sp | Mass of native polypeptide | P | ||||||||
0.02 M | 195 K | β-Galactosidase solutionsl | N/A | 0.01 M phosphate, pH 8.0 | Sp | Mass of native polypeptide | N | |||||||||
0.02 M | RT | β-Galactosidase lyophilisized powdersl | N/A | 0.01 M phosphate, pH 8.0 | Sp | Mass of native polypeptide | P | |||||||||
0.02 M | 195 K | β-Galactosidase lyophilisized powdersl | N/A | 0.01 M phosphate, pH 8.0 | Sp | Mass of native polypeptide | N |
aSouthworth-Davies & Garman (2007 ▶). bBarker et al. (2009 ▶). cMacedo et al. (2009 ▶). dKmetko et al. (2011 ▶). eMurray & Garman (2002 ▶). fBetts (2003 ▶). gHolton (2007 ▶). hDe la Mora et al. (2011 ▶). iKauffmann et al. (2006 ▶). jNowak et al. (2009 ▶). kCascio et al. (1984 ▶). lAudette-Stuart et al. (2005 ▶). mBorek et al. (2007 ▶). nZaloga & Sarma (1974 ▶). oSarma & Zaloga (1975 ▶).