6ZE0
Orthorhombic crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase from Comamonas testosteroni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-27 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.979700 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 49.929, 70.820, 210.868 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 67.130 - 1.990 |
R-factor | 0.2001 |
Rwork | 0.199 |
R-free | 0.24040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bmv |
RMSD bond length | 0.002 |
RMSD bond angle | 0.528 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 105.434 | 2.126 |
High resolution limit [Å] | 1.989 | 1.989 |
Number of reflections | 43285 | 2163 |
<I/σ(I)> | 9.5 | 1.5 |
Completeness [%] | 82.4 | |
Redundancy | 5.7 | |
CC(1/2) | 0.995 | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20 % polyethylen glycole 1500, 0.1 M sodium HEPES buffer, pH 7.5 |