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 |
