5ICM
17beta-hydroxysteroid dehydrogenase type 14 in complex with a non-steroidal inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 91.662, 91.662, 133.909 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.819 - 1.680 |
| R-factor | 0.1602 |
| Rwork | 0.159 |
| R-free | 0.18890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5en4 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.004 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1-2155_1492: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmerge | 0.493 | |
| Number of reflections | 32511 | |
| <I/σ(I)> | 14.13 | 2.87 |
| Completeness [%] | 99.1 | 98.3 |
| Redundancy | 6.9 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | PEG 6000 20%; Hepes 0.1 M pH 7.00; DMSO 5% |
