5UGI
Crystal Structure of Ketosteroid Isomerase D38GF54A mutant from Pseudomonas Testosteroni (tKSI) bound to Equilenin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-01-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 60.777, 60.777, 143.087 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.340 - 1.800 |
| R-factor | 0.1813 |
| Rwork | 0.179 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nxj |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.724 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2376: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.340 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.072 | 2.688 |
| Number of reflections | 15307 | |
| <I/σ(I)> | 18.4 | 1 |
| Completeness [%] | 100.0 | 99.5 |
| Redundancy | 12.1 | 12.3 |
| CC(1/2) | 1.000 | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 40 mM Potassium Phosphate, 1.0 M Ammonium Sulfate, 0.25 M Trimethyl acetate |
