8R8S
Low pH (5.5) as-isolated MSOX movie series dataset 1 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [0.57 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 | 2022-07-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.85504 |
Spacegroup name | P 63 |
Unit cell lengths | 103.890, 103.890, 64.490 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.000 - 1.110 |
R-factor | 0.11827 |
Rwork | 0.117 |
R-free | 0.14139 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 2.066 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.420 | 1.130 |
High resolution limit [Å] | 1.110 | 1.110 |
Rmerge | 0.069 | 1.515 |
Rpim | 0.035 | 0.843 |
Number of reflections | 154268 | 7653 |
<I/σ(I)> | 8.9 | 0.8 |
Completeness [%] | 99.0 | 98.6 |
Redundancy | 4.2 | 3.7 |
CC(1/2) | 0.998 | 0.340 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 290 | 1.8 M ammonium sulfate with 50 mM Hepes buffer (pH 5.5) |