7RXK
Multi-conformer model of Apo Ketosteroid Isomerase Y32F/Y57F mutant from Pseudomonas Putida (pKSI) 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 | 2016-12-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.88557 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.266, 74.059, 96.229 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.560 - 1.100 |
| R-factor | 0.1538 |
| Rwork | 0.153 |
| R-free | 0.16550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6u1z |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.954 |
| 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] | 37.030 | 1.120 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.079 | 2.860 |
| Rpim | 0.033 | 1.233 |
| Number of reflections | 105295 | 5087 |
| <I/σ(I)> | 9.2 | 0.6 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 6.5 | 6.3 |
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 |
