8RYR
High pH (8.0) nitrite-bound MSOX movie series dataset 4 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [2.76 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 | 104.120, 104.120, 64.360 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.126 - 1.250 |
Rwork | 0.107 |
R-free | 0.13090 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.865 |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.126 | 1.270 |
High resolution limit [Å] | 1.250 | 1.250 |
Rmerge | 0.069 | 0.950 |
Rmeas | 0.086 | 1.237 |
Rpim | 0.050 | 0.779 |
Number of reflections | 109422 | 5378 |
<I/σ(I)> | 9.6 | |
Completeness [%] | 99.8 | |
Redundancy | 4.8 | 3.5 |
CC(1/2) | 0.998 | 0.391 |
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 |