8RG9
High pH (8.0) nitrite-bound MSOX movie series dataset 2 of the copper nitrite reductase from Bradyrhizobium sp. ORS375 (two-domain)[2.24 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 PILATUS3 6M |
| Wavelength(s) | 0.775 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 107.080, 107.080, 107.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.250 |
| R-factor | 0.11415 |
| Rwork | 0.113 |
| R-free | 0.13647 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.004 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.890 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rpim | 0.030 | |
| Number of reflections | 112661 | 5565 |
| <I/σ(I)> | 13.5 | 0.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 18 | 14.8 |
| CC(1/2) | 1.000 | 0.294 |
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 |
