7OUY
Crystal structure of dimeric chlorite dismutase variant R127A (CCld R127A) from Cyanothece sp. PCC7425 in complex with nitrite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-18 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 1 |
Unit cell lengths | 52.250, 54.960, 93.895 |
Unit cell angles | 99.51, 94.81, 98.38 |
Refinement procedure
Resolution | 30.440 - 1.500 |
R-factor | 0.2493 |
Rwork | 0.249 |
R-free | 0.27460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mau |
RMSD bond length | 0.007 |
RMSD bond angle | 0.747 |
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] | 47.100 | 1.554 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 151776 | 13190 |
<I/σ(I)> | 4.04 | |
Completeness [%] | 90.8 | |
Redundancy | 3.3 | |
CC(1/2) | 0.996 | 0.206 |
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, 23 %w/v PEG 3350, 5 %v/v Glycerol Soaking: 50mM NaNO2 |