4HWA
Crystal Structure of Escherichia coli MscS Wildtype (Open State)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 128.240, 149.970, 175.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.914 - 4.370 |
R-factor | 0.268 |
Rwork | 0.267 |
R-free | 0.28810 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.111 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.576 | 4.480 |
High resolution limit [Å] | 4.370 | 4.370 |
Rmerge | 0.597 | |
Number of reflections | 21374 | |
<I/σ(I)> | 3.9 | |
Completeness [%] | 95.0 | 99.8 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 100 mM Tris HCl pH 8.5, 30% PEG 400, 200 mM MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |