8S0W
High pH (8.0) as-isolated MSOX movie series dataset 1 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [0.35 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 | 2023-02-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.755 |
| Spacegroup name | P 63 |
| Unit cell lengths | 103.790, 103.790, 64.330 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 89.885 - 1.050 |
| Rwork | 0.112 |
| R-free | 0.12870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.012 |
| 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] | 89.885 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.080 | 1.609 |
| Rmeas | 0.091 | 1.879 |
| Rpim | 0.041 | 0.925 |
| Number of reflections | 183204 | 9020 |
| <I/σ(I)> | 12 | |
| Completeness [%] | 100.0 | |
| Redundancy | 8.1 | 6.2 |
| CC(1/2) | 0.999 | 0.420 |
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 |
