6GTB
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with FB211
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 | 2017-04-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 91.338, 91.338, 133.065 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.899 - 1.619 |
| R-factor | 0.1393 |
| Rwork | 0.138 |
| R-free | 0.16470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5js6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.990 |
| 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 | 1.720 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 36077 | 5762 |
| <I/σ(I)> | 18.94 | 3.45 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 8.6 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | HEPES 0.1 M pH 7.00, sodium formate 3.3 M |
