7ZCS
Nitrite-bound MSOX movie series dataset 65 (52 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand (final)
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 | 2021-04-06 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 107.176, 107.176, 107.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.780 - 1.610 |
| R-factor | 0.16619 |
| Rwork | 0.165 |
| R-free | 0.19789 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7zcr |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.826 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.780 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rpim | 0.062 | 0.790 |
| Number of reflections | 60762 | 3027 |
| <I/σ(I)> | 5.4 | 0.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.2 | 6.1 |
| CC(1/2) | 0.996 | 0.328 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 297 | 1.8 M (NH4)2SO2 and 50mM HEPES buffer pH 5 |
