1JQK
Crystal structure of carbon monoxide dehydrogenase from Rhodospirillum rubrum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-07-30 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 1.3 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 92.600, 200.100, 116.800 |
Unit cell angles | 90.00, 111.50, 90.00 |
Refinement procedure
Resolution | 100.000 - 2.800 |
R-factor | 0.259 |
Rwork | 0.257 |
R-free | 0.28700 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 22.100 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.086 * | 0.350 * |
Total number of observations | 223988 * | |
Number of reflections | 90759 | |
<I/σ(I)> | 8.6 | 1.6 |
Completeness [%] | 94.0 | 80.1 * |
Redundancy | 2.5 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch method * | 7.5 | 298 | 10% PEG 8000, 0.1 M Tris buffer, 0.4 M calcium chloride, 5% 2-methyl-2,4-pentanediol, pH 7.5, capillary crystallization, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | PEG8000 | 5 (%) | |
2 | 1 | 1 | Tris | 0.05 (M) | |
3 | 1 | 1 | 0.2 (M) | ||
4 | 1 | 1 | MPD | 2.5 (%) | |
5 | 1 | 1 | protein | 10 (mg/ml) |