6GBT
17beta-hydroxysteroid dehydrogenase type 14 Mutant Y253A in complex with a non-steroidal inhibitor
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 | 2017-10-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918400 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 91.654, 91.654, 134.099 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.599 - 2.100 |
| R-factor | 0.1518 |
| Rwork | 0.150 |
| R-free | 0.19040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5icm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.861 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.220 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmeas | 0.093 | 0.506 |
| Number of reflections | 17086 | 2653 |
| <I/σ(I)> | 20.84 | 4.75 |
| Completeness [%] | 99.4 | 97.4 |
| Redundancy | 8.7 | 9 |
| CC(1/2) | 0.999 | 0.928 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | PEG6000 50% W/V HEPES 0.1M DMSO 5% |
