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 |