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 |
