8RYJ
High pH (8.0) nitrite-bound MSOX movie series dataset 3 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [2.07 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 | 104.070, 104.070, 64.330 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.104 - 1.160 |
| Rwork | 0.117 |
| R-free | 0.13900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.868 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.104 | 1.180 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.070 | 1.114 |
| Rmeas | 0.087 | 1.436 |
| Rpim | 0.051 | 0.886 |
| Number of reflections | 136362 | 6662 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 99.7 | |
| Redundancy | 4.5 | 3.3 |
| CC(1/2) | 0.998 | 0.313 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 193 | 100 mM Tris pH 7.3, 1.8 M Ammonium Sulphate |
