6X5K
Crystal structure of CODH/ACS with carbon monoxide bound to the A-cluster
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 | 2014-11-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 |
Unit cell lengths | 99.729, 137.383, 141.867 |
Unit cell angles | 101.82, 109.08, 103.66 |
Refinement procedure
Resolution | 49.630 - 2.470 |
R-factor | 0.2049 |
Rwork | 0.203 |
R-free | 0.23360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mjg |
RMSD bond length | 0.002 |
RMSD bond angle | 0.497 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.630 | 2.570 |
High resolution limit [Å] | 2.470 | 2.470 |
Number of reflections | 204543 | 14748 |
<I/σ(I)> | 9.6 | |
Completeness [%] | 88.3 | |
Redundancy | 7.2 | |
CC(1/2) | 0.990 | 0.800 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | PIPES, pH 6.5; magnesium acetate, glycerol, sodium dithionite, dithiothreitol, PEG 8000, sodium dodecanoyl sarcosine |