6VWY
Crystal structure of C45G/T50C D. vulgaris carbon monoxide dehydrogenase (anaerobic)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.560, 147.360, 66.050 |
Unit cell angles | 90.00, 110.78, 90.00 |
Refinement procedure
Resolution | 73.680 - 1.830 |
R-factor | 0.1487 |
Rwork | 0.147 |
R-free | 0.17760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b6v |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.870 |
High resolution limit [Å] | 1.830 | 1.830 |
Number of reflections | 102654 | 7601 |
<I/σ(I)> | 13.8 | |
Completeness [%] | 99.7 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 150-250 mM magnesium chloride, 16-20% w/v PEG3350 |