7ASB
Crystal structure of dimeric chlorite dismutase variant Q74E (CCld Q74E) from Cyanothece sp. PCC7425
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-08-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976252 |
Spacegroup name | P 1 |
Unit cell lengths | 51.160, 52.738, 54.772 |
Unit cell angles | 107.41, 99.14, 108.98 |
Refinement procedure
Resolution | 30.980 - 1.400 |
R-factor | 0.1624 |
Rwork | 0.162 |
R-free | 0.19300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mau |
RMSD bond length | 0.018 |
RMSD bond angle | 1.890 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_3885) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.980 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.067 | 1.195 |
Rmeas | 0.079 | |
Rpim | 0.042 | 0.717 |
Number of reflections | 90357 | 8896 |
<I/σ(I)> | 10.09 | 1.14 |
Completeness [%] | 92.5 | 91.39 |
Redundancy | 3.6 | 3.7 |
CC(1/2) | 0.998 | 0.571 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.1 M MES 6.5 pH, 0.15 M MgSO4, 28 % w/v PEG 3350, 3 % v/v Glycerol |