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 |
