4BMN
apo structure of short-chain alcohol dehydrogenase from Ralstonia sp. DSM 6428
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2013-02-28 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 136.480, 52.510, 151.470 |
| Unit cell angles | 90.00, 116.57, 90.00 |
Refinement procedure
| Resolution | 60.860 - 1.500 |
| R-factor | 0.15962 |
| Rwork | 0.158 |
| R-free | 0.18784 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fgs |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.122 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0033) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.860 | 1.570 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.030 | 0.250 |
| Number of reflections | 149646 | |
| <I/σ(I)> | 15.6 | 4.9 |
| Completeness [%] | 97.7 | 96.8 |
| Redundancy | 3.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1M BIS-TRIS PROPANE PH 7.0 CONTAINING 20% (W/V) PEG 3350 AND 0.02 M SODIUM-POTASSIUM PHOSPHATE. THE PROTEIN CONCENTRATION WAS 24 MG ML-1. |
