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 |