8KCN
X-ray structure of 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 55.527, 79.617, 114.488 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.470 - 1.310 |
| R-factor | 0.16287 |
| Rwork | 0.162 |
| R-free | 0.17290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.813 |
| Data reduction software | HKL-3000 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.365 | 1.310 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.162 | |
| Rmeas | 0.179 | |
| Number of reflections | 60439 | 57490 |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 98.9 | 98.8 |
| Redundancy | 1.9 | |
| CC(1/2) | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 30% PEG MME550; 0.1M Tris pH7.0; 0.05M MgCL |
