1DMM
CRYSTAL STRUCTURES OF MUTANT ENZYMES Y57F 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 | C 2 2 21 |
| Unit cell lengths | 36.090, 95.980, 74.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.189 |
| Rwork | 0.189 |
| R-free | 0.24900 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.548 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
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 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | SODIUM ACETATE, AMMONIUM ACETATE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 22K |
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) |
