8RFX
High pH (8.0) as-isolated MSOX movie series dataset 5 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain) [2.05 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 | 107.210, 107.210, 107.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.400 |
| R-factor | 0.16326 |
| Rwork | 0.162 |
| R-free | 0.18848 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.088 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.770 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rpim | 0.045 | 0.751 |
| Number of reflections | 80740 | 4102 |
| <I/σ(I)> | 9.2 | 1.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.5 | 10.5 |
| CC(1/2) | 0.997 | 0.312 |
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 |
