8RYJ
High pH (8.0) nitrite-bound MSOX movie series dataset 3 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [2.07 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) | 0.775 |
Spacegroup name | P 63 |
Unit cell lengths | 104.070, 104.070, 64.330 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.104 - 1.160 |
Rwork | 0.117 |
R-free | 0.13900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.868 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.104 | 1.180 |
High resolution limit [Å] | 1.160 | 1.160 |
Rmerge | 0.070 | 1.114 |
Rmeas | 0.087 | 1.436 |
Rpim | 0.051 | 0.886 |
Number of reflections | 136362 | 6662 |
<I/σ(I)> | 8.4 | |
Completeness [%] | 99.7 | |
Redundancy | 4.5 | 3.3 |
CC(1/2) | 0.998 | 0.313 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 193 | 100 mM Tris pH 7.3, 1.8 M Ammonium Sulphate |