6EMM
17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with Salicylic acid
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 | 2016-01-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 129.789, 129.789, 129.789 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.887 - 2.470 |
| R-factor | 0.1691 |
| Rwork | 0.167 |
| R-free | 0.21070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5js6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.895 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | XDS |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.620 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Number of reflections | 13260 | 2123 |
| <I/σ(I)> | 19.23 | 3.49 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.62 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | HEPES 0.1 M pH 7.00, sodium formate 3.3 M |
