9EVM
High pH (8.0) nitrite-bound MSOX movie series dataset 30 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [20.7 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 PILATUS 6M-F |
Wavelength(s) | 0.77491 |
Spacegroup name | P 63 |
Unit cell lengths | 104.560, 104.560, 64.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.002 - 1.800 |
Rwork | 0.152 |
R-free | 0.18330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.707 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | REFMAC (5.8.0425) |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.280 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.133 | 1.230 |
Rmeas | 0.165 | 1.518 |
Rpim | 0.095 | 0.873 |
Number of reflections | 37438 | 2237 |
<I/σ(I)> | 6.8 | |
Completeness [%] | 100.0 | |
Redundancy | 5.6 | 5.7 |
CC(1/2) | 0.995 | 0.365 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 100 mM Tris pH 7.3, 1.8 M Ammonium Sulphate |