6QAO
Structure of human aldehyde dehydrogenase 9A1 in P21 space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-12-08 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 113.730, 167.450, 116.140 |
Unit cell angles | 90.00, 90.94, 90.00 |
Refinement procedure
Resolution | 49.710 - 2.890 |
R-factor | 0.18 |
Rwork | 0.179 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qak |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.710 | 3.350 |
High resolution limit [Å] | 2.890 | 2.890 |
Rmerge | 0.200 | |
Number of reflections | 96373 | |
<I/σ(I)> | 7.33 | |
Completeness [%] | 99.5 | |
Redundancy | 7.12 | |
CC(1/2) | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 14% PEG 4K, 0.1 M sodium citrate pH 5.6 |