6HNO
17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant H93A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 91.400, 91.400, 132.696 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.020 - 1.680 |
| R-factor | 0.1699 |
| Rwork | 0.168 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5icm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.038 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Number of reflections | 31576 | 5144 |
| <I/σ(I)> | 23.2 | 3.96 |
| Completeness [%] | 97.5 | 99.7 |
| Redundancy | 8.22 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | PEG 6000 20%; Hepes 0.1 M pH 7.00; DMSO 5% |
