8IJG
Crystal structure of alcohol dehydrogenase M5 from Burkholderia gladioli with NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.988 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 107.127, 111.050, 229.917 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.550 - 2.270 |
R-factor | 0.2219 |
Rwork | 0.220 |
R-free | 0.25360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.009 |
RMSD bond angle | 1.284 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.000 | 2.390 |
High resolution limit [Å] | 2.270 | 2.270 |
Number of reflections | 63273 | 9070 |
<I/σ(I)> | 18.6 | 2.8 |
Completeness [%] | 99.5 | 99.2 |
Redundancy | 13.9 | |
CC(1/2) | 0.999 | 0.895 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M MES, pH6.5, 12% PEG 500 MME, 6% PEG 20000 |