4AT2
The crystal structure of 3-ketosteroid-delta4-(5alpha)-dehydrogenase from Rhodococcus jostii RHA1 in complex with 4-androstene-3,17- dione
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-15 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.778, 116.082, 110.151 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.367 - 1.600 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.18060 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.251 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.350 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.110 | 0.370 |
| Number of reflections | 80072 | |
| <I/σ(I)> | 10.5 | 3.2 |
| Completeness [%] | 95.2 | 74.1 |
| Redundancy | 4.88 | 4.28 |
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 |
