7OU5
Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with nitrite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-05 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 |
Unit cell lengths | 51.749, 52.759, 54.684 |
Unit cell angles | 107.14, 98.83, 109.56 |
Refinement procedure
Resolution | 33.940 - 1.900 |
R-factor | 0.1822 |
Rwork | 0.181 |
R-free | 0.21060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mau |
RMSD bond length | 0.011 |
RMSD bond angle | 0.955 |
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] | 46.150 | 1.930 |
High resolution limit [Å] | 1.820 | 1.820 |
Number of reflections | 80245 | 3670 |
<I/σ(I)> | 5.55 | |
Completeness [%] | 92.2 | |
Redundancy | 1.92 | |
CC(1/2) | 0.992 | 0.597 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.1 M MES pH 6.5, 0.15 M MgSO4, 24 %w/v PEG 3350, 1 %v/v Glycerol Soaking: 50mM NaNO2 |