3RVS
Structure of the CheYN59D/E89R Tungstate complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.02631 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.560, 53.620, 162.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.306 - 2.100 |
R-factor | 0.1498 |
Rwork | 0.148 |
R-free | 0.18370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fqw |
RMSD bond length | 0.010 |
RMSD bond angle | 1.328 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 52812 | |
<I/σ(I)> | 15.32 | 4.33 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.2 | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.6 M Ammonium Sulfate, 100 mM Tris, pH 7.5, 5% (v/v) glycerol, 10 mM Sodium Tungstate, 20 mM Manganese chloride, 4.25 mg/mL CheY, VAPOR DIFFUSION, HANGING DROP, temperature 298K |