5HS6
Human 17beta-hydroxysteroid dehydrogenase type 14 in complex with Estrone
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 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 91.111, 91.111, 132.021 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.106 - 2.020 |
| R-factor | 0.1614 |
| Rwork | 0.160 |
| R-free | 0.18770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5en4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.868 |
| 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 | 2.140 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Number of reflections | 18613 | |
| <I/σ(I)> | 15.86 | 4.3 |
| Completeness [%] | 99.7 | 98.7 |
| Redundancy | 7.52 | 7.57 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | CHES 0.1M, tri-sodium citrate 1M |
