7AXF
Crystal structure of the hPXR-LBD in complex with pretilachlor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.872600 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.740, 91.740, 85.210 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.870 - 2.450 |
| R-factor | 0.1983 |
| Rwork | 0.196 |
| R-free | 0.24610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ilg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.038 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.870 | 2.510 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmeas | 0.123 | 0.639 |
| Number of reflections | 13902 | 1023 |
| <I/σ(I)> | 12.9 | 3.2 |
| Completeness [%] | 99.9 | |
| Redundancy | 8.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 50 - 100 mM imidazole 8 - 14% isopropanol |
