7P2F
Green-type copper-nitrite reductase from Sinorhizobium meliloti 2011
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2017-01-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.928190 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 124.430, 215.390, 114.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.580 - 2.500 |
R-factor | 0.1839 |
Rwork | 0.182 |
R-free | 0.22430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aq8 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.485 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.1) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.580 | 2.580 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.127 | 0.860 |
Rmeas | 0.139 | 0.963 |
Rpim | 0.057 | 0.424 |
Number of reflections | 52802 | 4453 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 98.9 | 97.3 |
Redundancy | 5.7 | 4.7 |
CC(1/2) | 0.985 | 0.675 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M MgCl2, 20% w/v PEG 3350 |