7EPN
Ketosteroid Isomerase KSI native
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.011, 60.064, 121.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.800 - 1.900 |
| R-factor | 0.204 |
| Rwork | 0.201 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3grd |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.716 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rpim | 0.019 | 0.042 |
| Number of reflections | 25005 | 1237 |
| <I/σ(I)> | 35.78 | 20.59 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 13 | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 0.2 M Sodium acetate trihydrate, 0.1M Tris, pH 8.5, 30% PEG 3000 |
