4BMS
Short chain alcohol dehydrogenase from Ralstonia sp. DSM 6428 in complex with NADPH
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 | 2013-02-02 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 192.260, 135.620, 93.580 |
| Unit cell angles | 90.00, 100.12, 90.00 |
Refinement procedure
| Resolution | 74.540 - 2.890 |
| R-factor | 0.26942 |
| Rwork | 0.268 |
| R-free | 0.29254 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.597 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 74.540 | 2.930 |
| High resolution limit [Å] | 2.890 | 2.890 |
| Rmerge | 0.180 | 0.730 |
| Number of reflections | 52465 | |
| <I/σ(I)> | 7.4 | 2 |
| Completeness [%] | 99.2 | 98.8 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1M BIS-TRIS PROPANE PH 8.0, CONTAINING 16% (W/V) PEG 3350, 0.2M KSCN AND 5% (W/V) ETHYLENE GLYCOL. PROTEIN AT 20 MG ML-1. CRYSTALS WERE SOAKED IN 10 MM NADPH FOR 5 MIN. |
