1W01
Crystal structure of mutant enzyme Y57F/D103L of ketosteroid isomerase from Pseudomonas putida biotype B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 295 |
Detector technology | IMAGE PLATE |
Collection date | 1999-02-26 |
Detector | MACSCIENCE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.496, 75.942, 92.312 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.510 - 2.200 |
R-factor | 0.219 |
Rwork | 0.219 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.046 | 0.227 |
Number of reflections | 10553 | |
<I/σ(I)> | 22.8 | |
Completeness [%] | 93.5 | 88.2 |
Redundancy | 6.9 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | SODIUM ACETATE, AMMONIUM ACETATE, pH 4.60 |