1QJG
Crystal structure of delta5-3-ketosteroid isomerase from Pseudomonas testosteroni in complex with equilenin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 287 |
Detector technology | IMAGE PLATE |
Detector | MACSCIENCE |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 73.900, 72.500, 80.800 |
Unit cell angles | 90.00, 104.30, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.300 |
R-factor | 0.196 * |
Rwork | 0.205 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8cho |
RMSD bond length | 0.010 |
RMSD bond angle | 1.389 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.340 |
High resolution limit [Å] | 2.260 | 2.260 |
Rmerge | 0.069 * | |
Total number of observations | 102917 * | |
Number of reflections | 37500 | |
Completeness [%] | 96.0 | 90 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 4.6 | 12 * | PEG 4000 25%, 0.1M SODIUM ACETATE, PH 4.6, 0.2M AMMONIUM SULFATE |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | PEG4000 | 25 (%) | |
3 | 1 | drop | sodium acetate | 0.1 (M) | |
4 | 1 | drop | ammonium sulfate | 0.2 (M) |