8S5X
High pH (8.0) as-isolated MSOX movie series dataset 10 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [3.5 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 |
| Wavelength(s) | 0.775 |
| Spacegroup name | P 63 |
| Unit cell lengths | 103.970, 103.970, 64.460 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.468 - 1.120 |
| Rwork | 0.113 |
| R-free | 0.13250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.945 |
| 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] | 64.460 | 1.140 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.107 | 1.530 |
| Rmeas | 0.121 | 1.774 |
| Rpim | 0.054 | 0.862 |
| Number of reflections | 151937 | 7527 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 100.0 | |
| Redundancy | 8.4 | 6.6 |
| CC(1/2) | 0.999 | 0.455 |
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 |
