5ICS
Crystal structure of 17beta-hydroxysteroid dehydrogenase type 14 apoenzyme.
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 | 2015-02-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9148 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.039, 92.191, 87.280 |
| Unit cell angles | 90.00, 114.98, 90.00 |
Refinement procedure
| Resolution | 43.949 - 1.520 |
| R-factor | 0.1308 |
| Rwork | 0.129 |
| R-free | 0.16420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5en4 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.937 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Rmerge | 0.480 | |
| Number of reflections | 169468 | |
| <I/σ(I)> | 15.23 | 2.74 |
| Completeness [%] | 99.5 | 98.8 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | Sodium acetate 0.1 M; PEG 400 30%; ammonium acetate 0.2 M. |
