8S5Y
High pH (8.0) as-isolated MSOX movie series dataset 40 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [14 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 | 104.260, 104.260, 64.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.187 - 1.300 |
Rwork | 0.118 |
R-free | 0.14340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.834 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.660 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.163 | 1.791 |
Rmeas | 0.184 | 2.049 |
Rpim | 0.084 | 0.969 |
Number of reflections | 98197 | 4872 |
<I/σ(I)> | 11.5 | |
Completeness [%] | 100.0 | |
Redundancy | 9 | 7.6 |
CC(1/2) | 0.998 | 0.410 |
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 |