8RFY
High pH (8.0) as-isolated MSOX movie series dataset 30 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [12.3 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 | 2023-03-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.775 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 107.620, 107.620, 107.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.790 |
| R-factor | 0.17168 |
| Rwork | 0.170 |
| R-free | 0.21006 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.816 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.940 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rpim | 0.061 | 0.622 |
| Number of reflections | 39378 | 2325 |
| <I/σ(I)> | 7.9 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.6 |
| CC(1/2) | 0.996 | 0.364 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.05 M HEPES pH 5.5, 1.8 M Ammonium Sulphate |
