8QUV
Crystal structure of chlorite dismutase at 3000 eV with no absorption corrections
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I23 |
Synchrotron site | Diamond |
Beamline | I23 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2023-05-16 |
Detector | DECTRIS PILATUS 12M |
Wavelength(s) | 4.132 |
Spacegroup name | P 1 |
Unit cell lengths | 51.557, 52.755, 54.952 |
Unit cell angles | 107.21, 99.03, 109.31 |
Refinement procedure
Resolution | 50.350 - 2.700 |
R-factor | 0.19307 |
Rwork | 0.191 |
R-free | 0.23348 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.456 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.350 | 2.797 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 13696 | 1351 |
<I/σ(I)> | 16.51 | |
Completeness [%] | 99.4 | |
Redundancy | 38.8 | |
CC(1/2) | 0.997 | 0.986 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 150 mM MgSO4, 100 mM MES pH 6.5, 20 % w/v PEG 3350 |