1DMN
CRYSTAL STRUCTURE OF MUTANT ENZYME Y32F/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 | 1999-11-20 |
Detector | MACSCIENCE |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 36.360, 96.480, 74.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.050 |
R-factor | 0.195 |
Rwork | 0.195 |
R-free | 0.24400 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.843) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.066 | 0.220 |
Number of reflections | 8592 | |
<I/σ(I)> | 14.5 | |
Completeness [%] | 93.3 | 89 |
Redundancy | 5.5 | 2.3 |
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) |