1OHO
CRYSTAL STRUCTURE OF KETOSTEROID ISOMERASE Y16F/D40N mutant COMPLEXED WITH EQUILENIN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-11-15 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 36.122, 96.277, 74.262 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.900 |
R-factor | 0.196 |
Rwork | 0.196 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.150 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.057 | 0.200 |
Number of reflections | 10600 | |
<I/σ(I)> | 29 | 5.2 |
Completeness [%] | 96.5 | 92.2 |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.8 | pH 6.80 |