6ZDZ
Tetragonal crystal structure of the bulky-bulky ketone specific alcohol dehydrogenase from Comamonas testosteroni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-08-22 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 103.481, 103.481, 112.474 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.740 - 2.153 |
R-factor | 0.1925 |
Rwork | 0.191 |
R-free | 0.22860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bmv |
RMSD bond length | 0.002 |
RMSD bond angle | 0.439 |
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] | 76.153 | 2.361 |
High resolution limit [Å] | 2.153 | 2.153 |
Number of reflections | 23618 | 1182 |
<I/σ(I)> | 17.2 | 1.6 |
Completeness [%] | 70.1 | 14.8 |
Redundancy | 25.3 | 24.1 |
CC(1/2) | 0.998 | 0.680 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 10 % polyethylene glycol 4000, 0.2 M magnesium chloride, 60 mM potassium sulphate, 0.1 M MES buffer, pH 6.5 |