5DRE
Crystal Structure of Ketosteroid Isomerase D38GP39GD99N mutant from Pseudomonas Testosteroni (tKSI)
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 | 2015-01-17 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 60.362, 60.362, 142.103 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.107 - 2.151 |
| R-factor | 0.2236 |
| Rwork | 0.221 |
| R-free | 0.26760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3nxj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.960 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.110 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.085 | 0.542 |
| Number of reflections | 8865 | |
| <I/σ(I)> | 12.89 | 2.01 |
| Completeness [%] | 99.3 | 98.5 |
| Redundancy | 5.4 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | Potassium Phosphate 40 mM, Ammonium Sulfate 0.6 M |
