6UCW
Multi-conformer model of Apo Ketosteroid Isomerase 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 | 2016-11-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.88557 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.849, 73.437, 95.989 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.719 - 1.250 |
| R-factor | 0.15 |
| Rwork | 0.149 |
| R-free | 0.17310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vsy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.958 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.720 | 36.720 | 1.270 |
| High resolution limit [Å] | 1.250 | 6.850 | 1.250 |
| Rmerge | 0.076 | 0.043 | 1.459 |
| Rmeas | 0.085 | 0.048 | 1.644 |
| Rpim | 0.038 | 0.022 | 0.746 |
| Total number of observations | 336888 | 2310 | 16253 |
| Number of reflections | 70573 | 495 | 3438 |
| <I/σ(I)> | 9.9 | 33.9 | 1.1 |
| Completeness [%] | 99.5 | 95.8 | 98.6 |
| Redundancy | 4.8 | 4.7 | 4.7 |
| CC(1/2) | 0.997 | 0.992 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE |
