9GYB
Crystal structure of the recombinant CODH from Rhodopspirillum rubrum produced in Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 92.450, 200.573, 116.370 |
| Unit cell angles | 90.00, 111.21, 90.00 |
Refinement procedure
| Resolution | 47.710 - 2.900 |
| R-factor | 0.2282 |
| Rwork | 0.227 |
| R-free | 0.28790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.874 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.710 | 3.004 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 86518 | 8126 |
| <I/σ(I)> | 4.18 | |
| Completeness [%] | 99.1 | 93.57 |
| Redundancy | 1.77 | |
| CC(1/2) | 0.980 | 0.130 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 100mM HEPES, pH 7.5, 1 mM DTT, 10% PEG8000, 8% MPD, 0.2 M CaCl2. |
