5JS6
Crystal structure of 17beta-hydroxysteroid dehydrogenase 14 T205 variant in complex with NAD.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 130.206, 130.206, 130.206 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.035 - 2.002 |
| R-factor | 0.1674 |
| Rwork | 0.166 |
| R-free | 0.19070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5en4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.817 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: 000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.482 | |
| Number of reflections | 24734 | |
| <I/σ(I)> | 20.98 | 3.91 |
| Completeness [%] | 99.4 | 98.5 |
| Redundancy | 6.62 | 6.52 |
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 |
