4CPD
Alcohol dehydrogenase TADH from Thermus sp. ATN1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2012-12-16 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.367, 87.367, 337.560 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 112.520 - 2.740 |
| R-factor | 0.19431 |
| Rwork | 0.192 |
| R-free | 0.24758 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2d8a |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.508 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.220 | 2.910 |
| High resolution limit [Å] | 2.740 | 2.740 |
| Rmerge | 0.090 | 0.500 |
| Number of reflections | 40559 | |
| <I/σ(I)> | 22.2 | 4.9 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 12.2 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1 M SODIUM CHLORIDE AND 1.5 M AMMONIUM SULPHATE IN 0.1 M BIS-TRIS BUFFER AT PH 6.5. |
