4AT0
The crystal structure of 3-ketosteroid-delta4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-18 |
| Detector | ADSC QUANTUM 210r |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.233, 114.308, 110.161 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.650 - 1.600 |
| R-factor | 0.15875 |
| Rwork | 0.158 |
| R-free | 0.17539 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1D4C 1e39 1kf6 1nek 1zoy |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.436 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.600 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.080 | 0.320 |
| Number of reflections | 80282 | |
| <I/σ(I)> | 22.6 | 4.7 |
| Completeness [%] | 97.0 | 83.8 |
| Redundancy | 11.1 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | CRYSTALS WERE OBTAINED FROM 200 MM AMMONIUM ACETATE, 100 MM SODIUM CITRATE PH 5.6 AND 30%(W/V) PEG 4000 |
