4K1U
Crystal structure of delta5-3-ketosteroid isomerase containing Y16F and Y32F mutations
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6B |
Synchrotron site | PAL/PLS |
Beamline | 6B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-15 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.1271 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.284, 73.094, 95.084 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
Rwork | 0.225 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 1.464 |
RMSD bond angle | 2.335 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 16266 | |
<I/σ(I)> | 5.5 | |
Completeness [%] | 56.4 | 81 |
Redundancy | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | SODIUM ACETATE, AMMONIUM ACETATE, pH 4.60, VAPOR DIFFUSION, HANGING DROP, temperature 293K |