6U1Z
Crystal Structure of Ketosteroid Isomerase from Pseudomonas Putida (pKSI) at 280 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 280 |
| Detector technology | PIXEL |
| Collection date | 2016-06-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.88557 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.028, 73.938, 95.691 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.970 - 1.500 |
| R-factor | 0.1376 |
| Rwork | 0.136 |
| R-free | 0.16660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vsy |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.912 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.25) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.970 | 36.970 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.074 | 0.042 | 1.737 |
| Rmeas | 0.082 | 0.047 | 1.916 |
| Rpim | 0.035 | 0.021 | 0.796 |
| Total number of observations | 227920 | 1549 | 10482 |
| Number of reflections | 41654 | 315 | 1902 |
| <I/σ(I)> | 10.9 | 32.6 | 1.1 |
| Completeness [%] | 99.6 | 99.2 | 95.3 |
| Redundancy | 5.5 | 4.9 | 5.5 |
| CC(1/2) | 0.997 | 0.988 | 0.466 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 278 | 17-23% PEG 3350, 0.2 M MAGNESIUM CHLORIDE |
