6G4L
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 | 2017-04-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 91.423, 91.423, 132.141 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.207 - 1.444 |
| R-factor | 0.1576 |
| Rwork | 0.156 |
| R-free | 0.17940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5icm |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.996 |
| 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 | 1.530 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmeas | 0.059 | 0.537 |
| Number of reflections | 50078 | 7713 |
| <I/σ(I)> | 20.63 | 3.24 |
| Completeness [%] | 99.4 | 96.3 |
| Redundancy | 8.5 | 8.2 |
| CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291.15 | PEG 6000 50%w/v HEPES 0.1M DMSO 5% |
