6ONS
Crystal structure of Desulfovibrio vulgaris carbon monoxide dehydrogenase with the D-cluster ligating cysteines mutated to alanines, coexpressed with CooC, as-isolated
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 | 2018-10-31 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.7379 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 110.544, 100.609, 65.343 |
Unit cell angles | 90.00, 124.75, 90.00 |
Refinement procedure
Resolution | 45.416 - 2.485 |
R-factor | 0.2087 |
Rwork | 0.207 |
R-free | 0.24790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b6v |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.570 |
High resolution limit [Å] | 2.480 | 5.340 | 2.480 |
Rmerge | 0.183 | 0.131 | 0.598 |
Rmeas | 0.219 | 0.155 | 0.783 |
Rpim | 0.118 | 0.081 | 0.500 |
Total number of observations | 113931 | ||
Number of reflections | 38000 | 3949 | 3637 |
<I/σ(I)> | 6.4 | ||
Completeness [%] | 93.4 | 97.4 | 88.6 |
Redundancy | 3 | 3.6 | 2 |
CC(1/2) | 0.964 | 0.472 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 200-275 mM magnesium chloride, 14-20% v/v PEG3350 |