7OU7
Crystal structure of dimeric chlorite dismutase variant Q74V (CCld Q74V) from Cyanothece sp. PCC7425 in complex with nitrite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9724 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.954, 73.049, 59.973 |
Unit cell angles | 90.00, 112.32, 90.00 |
Refinement procedure
Resolution | 47.540 - 1.630 |
R-factor | 0.1679 |
Rwork | 0.168 |
R-free | 0.18880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ati |
RMSD bond length | 0.006 |
RMSD bond angle | 0.763 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.540 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 52809 | 5233 |
<I/σ(I)> | 7.96 | |
Completeness [%] | 76.2 | |
Redundancy | 1.29 | |
CC(1/2) | 0.999 | 0.174 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 20 %w/v PEG 8K, 0.1 M TRIS pH 8.5, 0.2 M MgCl2 Soaking: 100mM NaNO2 |