7RY4
Multi-conformer model of Ketosteroid Isomerase Y57F/D40N mutant from Pseudomonas Putida (pKSI) bound to a transition state analog at 250 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 250 |
| Detector technology | PIXEL |
| Collection date | 2018-02-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.88557 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.243, 74.554, 50.966 |
| Unit cell angles | 90.00, 110.70, 90.00 |
Refinement procedure
| Resolution | 29.370 - 1.110 |
| R-factor | 0.1432 |
| Rwork | 0.142 |
| R-free | 0.15760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6u1z |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.071 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.280 | 1.130 |
| High resolution limit [Å] | 1.110 | 1.110 |
| Rmerge | 0.076 | 1.764 |
| Rpim | 0.044 | 1.028 |
| Number of reflections | 97398 | 4738 |
| <I/σ(I)> | 7.4 | 0.7 |
| Completeness [%] | 97.8 | 95.3 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE |
