6K62
Crystal structure of Xanthomonas PcrK
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-03 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9785 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 105.137, 105.137, 103.671 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.880 - 2.550 |
R-factor | 0.201 |
Rwork | 0.198 |
R-free | 0.25200 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.710 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.836 | |
Rmeas | 0.873 | |
Number of reflections | 21899 | 3443 |
<I/σ(I)> | 23.98 | 2.93 |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 11 | 11.1 |
CC(1/2) | 0.869 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.08 M MES monohydrate PH 6.5, 1.28 M Magnesium sulfate heptahydrate, 0.02 M Sodium cacodylate trihydrate pH 6.5, 0.28 M Sodium acetate trihydrate, 1.2% w/v myo-Inositol |