6QCK
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB262
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-09-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.972960 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 91.136, 91.136, 132.735 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.233 - 1.680 |
| R-factor | 0.1353 |
| Rwork | 0.134 |
| R-free | 0.15630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5o43 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.016 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
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 | 32190 | 5053 |
| <I/σ(I)> | 34.19 | 4.89 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 14.3 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 6000 20% Hepes 0.1M, DMSO 5% |
