1C7H
CRYSTAL STRUCTURE OF A MUTANT R75A IN KETOSTEROID ISOMERASE FROM PSEDOMONAS PUTIDA BIOTYPE B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE M18X |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Detector | MACSCIENCE |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 36.374, 96.062, 74.437 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.500 |
| R-factor | 0.172 |
| Rwork | 0.172 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1opy |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.666 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.091 | 0.291 |
| Number of reflections | 4081 | |
| <I/σ(I)> | 16 | 3 |
| Completeness [%] | 95.1 | 91 |
| Redundancy | 6.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.6 | 22 * | pH 4.6 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium acetate | 1.0 (M) | |
| 2 | 1 | reservoir | ammonium acetate | 0.1 (M) |
