7AXE
Crystal structure of the hPXR-LBD in complex with oxadiazon
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-06-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.976250 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 91.710, 91.710, 85.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.850 - 1.900 |
R-factor | 0.192 |
Rwork | 0.190 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ilg |
RMSD bond length | 0.008 |
RMSD bond angle | 0.807 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.850 | 2.010 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.092 | 0.676 |
Number of reflections | 29168 | 4412 |
<I/σ(I)> | 13.91 | 3.4 |
Completeness [%] | 99.8 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 50 - 100 mM imidazole 8 - 14% isopropanol |