8S63
Low pH (5.5) as-isolated MSOX movie series dataset 3 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [1.71 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 | 2022-07-18 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.855 |
| Spacegroup name | P 63 |
| Unit cell lengths | 103.990, 103.990, 64.570 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 52.049 - 1.170 |
| Rwork | 0.118 |
| R-free | 0.14210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.855 |
| 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] | 52.480 | 1.190 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.057 | 1.698 |
| Rmeas | 0.071 | 2.092 |
| Rpim | 0.040 | 1.191 |
| Number of reflections | 132306 | 6482 |
| <I/σ(I)> | 9.2 | |
| Completeness [%] | 99.1 | |
| Redundancy | 4.3 | 3.8 |
| CC(1/2) | 0.998 | 0.327 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 50 mM Hepes pH 5.5, 1.8 M Ammonium Sulphate |
