1OCV
the F116W mutant structure of ketosteroid isomerase from Comamonas testosteroni
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 83 |
Collection date | 2002-01-15 |
Spacegroup name | P 31 |
Unit cell lengths | 71.525, 71.525, 103.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.2288 |
Rwork | 0.229 |
R-free | 0.28240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8cho |
RMSD bond length | 0.006 |
RMSD bond angle | 1.166 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.060 |
Number of reflections | 34868 |
Completeness [%] | 91.8 |
Redundancy | 2.96 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | 25 * | pH 7.50 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG400 | 4 (%) | |
2 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
3 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |