6THF
Crystal structure of two-domain Cu nitrite reductase from Bradyrhizobium sp. ORS 375
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9159 |
Spacegroup name | P 21 3 |
Unit cell lengths | 106.929, 106.929, 106.929 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.930 - 1.470 |
R-factor | 0.1417 |
Rwork | 0.141 |
R-free | 0.15710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5i6k |
RMSD bond length | 0.013 |
RMSD bond angle | 1.667 |
Data reduction software | DIALS (1.10.4) |
Phasing software | MOLREP (11.4.06) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 106.930 | 1.500 |
High resolution limit [Å] | 1.470 | 1.470 |
Rmerge | 0.081 | 1.018 |
Rmeas | 0.088 | 1.105 |
Rpim | 0.034 | 0.428 |
Number of reflections | 69285 | 3445 |
<I/σ(I)> | 11.3 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.5 | 6.6 |
CC(1/2) | 0.998 | 0.638 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 1.2 M ammonium sulfate, 0.05 M MES pH6.0 |