1E97
Crystal structure of ketosteroid isomerase from Pseudomonas putida ; triple mutant y16f/y32f/y57f
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 298 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 36.330, 96.530, 74.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.000 |
R-factor | 0.19 |
Rwork | 0.190 |
R-free | 0.26400 |
Structure solution method | OTHER |
RMSD bond length | 0.013 |
RMSD bond angle | 1.572 |
Refinement software | X-PLOR (3.81) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.081 |
Number of reflections | 9195 |
<I/σ(I)> | 13 |
Completeness [%] | 93.1 |
Redundancy | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 * | 22 * | Kim, S.W., (1997) Biochemistry, 36, 14030. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | potassium phosphate | 40 (mM) | |
3 | 1 | drop | EDTA | 1 (mM) | |
4 | 1 | drop | beta-mercaptoethanol | 15 (mM) | |
5 | 1 | drop | d-equilenin in dimethyl sulfoxide | 10 (mM) | |
6 | 1 | reservoir | sodium acetate | 1.4 (M) | |
7 | 1 | reservoir | ammonium acetate | 0.1 (M) |