8QVB
Crystal structure of chlorite dismutase at 3000 eV based on a combination of spherical harmonics and analytical 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 | 0.174 |
| Rwork | 0.172 |
| R-free | 0.21841 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.446 |
| 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)> | 44.73 | |
| Completeness [%] | 99.4 | |
| Redundancy | 41.1 | |
| CC(1/2) | 0.999 | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 150mM MgSO4, 100mM MES, pH 6.5 and 20 % w/v PEG 3350 |
