8KC6
X-ray structure of 3-alpha-(Or 20-beta)-hydroxysteroid dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| 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 | 55.496, 79.538, 114.365 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.550 - 1.200 |
| R-factor | 0.16699 |
| Rwork | 0.166 |
| R-free | 0.17936 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.109 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.180 | 1.260 |
| High resolution limit [Å] | 1.198 | 1.200 |
| Rmerge | 0.046 | 0.258 |
| Number of reflections | 69742 | 4693 |
| <I/σ(I)> | 19.1 | |
| Completeness [%] | 87.6 | |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 30% Polyethylene glycol monomethyl ether 550,0.1M Bis-Tris pH7.0,0.05M Magnesium chloride hexahydrate |
