5L7Y
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal inhibitor.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.799900 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 91.571, 91.571, 132.518 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.310 - 1.912 |
| R-factor | 0.1393 |
| Rwork | 0.138 |
| R-free | 0.16450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5en4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.993 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: 000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Rmerge | 0.497 | |
| Number of reflections | 21943 | |
| <I/σ(I)> | 16.75 | 3.71 |
| Completeness [%] | 98.9 | 94.8 |
| Redundancy | 7.17 | 6.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | CHES 0.1 M pH 9.50 tri-sodium-citrate 1.00 M DMSO 5% |
