7C83
Crystal structure of an integral membrane steroid 5-alpha-reductase PbSRD5A
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 | 2020-03-29 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.192, 104.266, 123.046 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.360 - 2.000 |
| R-factor | 0.197 |
| Rwork | 0.193 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PREDICTED MODEL |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.365 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 0.844 |
| Number of reflections | 22993 | 1628 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 6.6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 40% PEG 400, 100 mM HEPES pH 7.5, 100 mM potassium acetate |
