Skip to main content
. 2010 Mar 31;66(Pt 4):442–447. doi: 10.1107/S1744309110005749

Table 1. Data-collection statistics.

Values in parentheses are for the highest resolution shell.

  TP_nat TP_glc TP_OG TP_tre TP_mut
X-ray source SLS X06SA BESSY ID14.1 SLS X06SA BESSY ID14.2 SOLEIL PROXIMA1
Temperature (K) 100 100 100 100 100
Dehydration No No No No Method 1
Cryoprotectant PEG 4000 PEG 4000 MPD MPD MPD
Ligand None n-Octyl-β-D-glucose Glucose Trehalose Trehalose + Pi
Ligand concentration 1%(w/v) 2%(w/v) 0.4%(w/v) 0.75%(w/v) trehalose, 19 mM phosphate
Method for ligand complexes Cocrystallization Transfer soak (2 h) Addition soak (30 min) Addition soak (56 h)
Wavelength (Å) 0.9998 0.9184 0.9999 0.9184 0.9184
Data range (°) 113 140 100 100 140
Frame oscillation (°) 0.125 0.2 0.2 0.2 0.2
Data processing XDS/XSCALE XDS/XSCALE XDS/XSCALE XDS/XSCALE XDS/XSCALE
Space group P212121 P212121 P212121 P212121 P212121
Resolution (Å) 50–2.8 40–4.6 30–4.2 30–3.4 30–4.1
Unit-cell parameters          
a (Å) 97.84 102.4 103.8 98.39 101.2
b (Å) 104.28 105.2 105.4 103.92 107.4
c (Å) 415.71 423.1 424.0 420.6 422.0
Molecules in asymmetric unit 4 4 4 4 4
Unique reflections 100648 26162 34229 59496 36988
Redundancy 4.00 5.62 4.09 3.29 5.55
Mosaicity (°) 0.24 0.19 0.15 0.24 0.19
Completeness (%) 95.1 (96.1) 98.3 (96.7) 98.0 (96.2) 98.4 (99.7) 99.3 (99.3)
Rmeas (%) 11.0 (76.5) 16.8 (93.2) 9.8 (50.5) 16.2 (73.6) 7.4 (77.3)
I/σ(I)〉 10.2 (2.4) 9.08 (2.12) 12.46 (3.05) 8.55 (2.44) 14.02 (2.55)
RFZ 6.1, 3.9, 3.7, 3.8        
TFZ 4.4, 12.4, 19.3, 14.2        
LLG 58, 1884, 381, 821        

R meas is the multiplicity-weighted R merge, i.e. Inline graphic Inline graphic, where Ii(hkl) is the intensity of the ith measurement of reflection hkl and 〈I(hkl)〉 is the average value over multiple measurements (Diederichs & Karplus, 1997).

For monomers 1, 2, 3 and 4, respectively.