5AI1
Crystal structure of ketosteroid isomerase containing Y32F, D40N, Y57F and Y119F mutations in the equilenin-bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-16 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 35.195, 95.769, 73.534 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.134 - 2.103 |
| R-factor | 0.1971 |
| Rwork | 0.190 |
| R-free | 0.25940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1opy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.134 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.130 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.340 |
| Number of reflections | 7126 | |
| <I/σ(I)> | 23 | 2.9 |
| Completeness [%] | 94.4 | 89.6 |
| Redundancy | 7.6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 0.1M SODIUM ACETATE (PH 4.5), 0.6M AMMONIUM ACETATE, 30% PEG 4,000 |
