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. Author manuscript; available in PMC: 2013 May 29.
Published in final edited form as: J Mol Biol. 2006 Apr 6;359(3):624–645. doi: 10.1016/j.jmb.2006.03.050

Table 3.

Comparison of interface characteristics, model quality, experimental conditions and crystal lattice characteristics

Models F432YZ200-214a P2(1)2(1)2YZ200-214 CheY-CheZ1-2149
Binding modes F432Mode P2(1)2(1)2Mode P2(1)2(1)2Mode
Interface characteristics
 Buried surface area (Å2) 789.6 (762 – 821) 1044 677
 H-bondsb 1 2 1
 Salt bridgesb 1 2 2
 Hydrophobic contactsb 8 8 5
 Gap volume indexc 2.14 (1.39 – 2.16) 1.25 2.70
Model quality
 Resolution (Å) 2.3 (2.0 – 2.3) 2.0 2.9
 Rworking 0.193 (0.193 – 0.220) 0.186 0.279
 Rfree 0.220 (0.207 – 0.246) 0.232 0.298
 CheZC B-valuesd (Å2) 38.8 (29.5 – 46.0) 17.67 164.8
 No. of CheZC residuese 14 (10 – 14) 15 13
Experimental conditions
 CheZ FL/peptidef peptide peptide FL
 Crystallization conditions
 [Protein] (mM)g 0.9/ 3.6 0.8/ 1.2 0.264/ 0.264
  Chemical conditions
   [BeCl2] (mM) 5.0 35.0 3.6
   [NaF] (mM) 30.0 35.0 10.0
   [MgCl2] (mM) 7.0 7.0 10.0
   Buffer (0.1 M) Hepes (pH 7.5)/
Tris (pH 8.4)/
CAPS (pH 10.5)		 MES (pH 6.0) Bicine (pH 8.5)
   Precipitant 2 M ammonium 0.05 M sodium 0.2 M ammonium
sulfate phosphate acetate
(1.8 M – 2.3 M) (monobasic) 30% isopropanol
0.2M lithium sulfate 37.5% PEG-8000
  Cryoprotectanth 20% glycerol/ 18% PEG-400
2% sucrose		 50% sucrose
 Temperature 25°C 25°C 4°C
Crystal lattice F432 P21212 P43212
a

Values are given for the BeF3−-free F432YZ200-214 structure solved from a crystal at Tris (pH 8.4). Range of values within parenthesis pertains to all six F432YZ200-214 structures.

b

Hydrogen bonds and salt bridges are enumerated as atom-atom contacts. Hydrophobic contacts are enumerated as residue-residue contacts.

c

Gap volume index is defined by the volume of gaps between two interacting molecules per Å2 of interface accessible surface area.

d

Average B-value indicates the averaged B-value for all modeled backbone and side-chain atoms of the CheZC region in a given model.

e

Number of CheZC residues included in the models is given in each case.

f

CheZ full-length (FL) protein or peptide is indicated in each case.

g

Concentrations of CheY/ CheZ200-214 peptide are given for the CheY-CheZ200-214 structures. Concentrations of CheY/ CheZ1-214 protein are given for the CheY-CheZ1-214 structure.

h

Final concentrations of cryoprotectant solutions are given.