4V3H
Crystal structure of CymA from Klebsiella oxytoca
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-22 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 61.211, 61.430, 108.237 |
Unit cell angles | 90.00, 91.42, 90.00 |
Refinement procedure
Resolution | 43.353 - 1.830 |
R-factor | 0.175 |
Rwork | 0.174 |
R-free | 0.20650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4v3g |
RMSD bond length | 0.006 |
RMSD bond angle | 1.079 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.080 | 0.570 |
Number of reflections | 77325 | |
<I/σ(I)> | 13.8 | 2 |
Completeness [%] | 97.0 | 93 |
Redundancy | 3.3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 23% PEG2000 0.1 M TRIS PH 8 0.3 M MAGNESIUM NITRATE HEXAHYDRATE |