8S2Q
High pH (8.0) as-isolated MSOX movie series dataset 2 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [0.7 MGy]
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.775 |
| Spacegroup name | P 63 |
| Unit cell lengths | 103.820, 103.820, 64.350 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.383 - 1.050 |
| Rwork | 0.115 |
| R-free | 0.12950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.002 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.350 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.082 | 1.732 |
| Rmeas | 0.093 | 2.022 |
| Rpim | 0.042 | 0.995 |
| Number of reflections | 183378 | 8110 |
| <I/σ(I)> | 11.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 8.1 | 6.2 |
| CC(1/2) | 0.999 | 0.386 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris pH 7.3, 1.8 M Ammonium Sulphate |
