1SKX
Structural Disorder in the Complex of Human PXR and the Macrolide Antibiotic Rifampicin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-08-17 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 91.537, 91.537, 85.504 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.420 - 2.800 |
R-factor | 0.287 |
Rwork | 0.218 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ilg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.500 |
Data reduction software | TRUNCATE |
Data scaling software | CCP4 ((TRUNCATE)) |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.420 | 3.100 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 9358 | |
Completeness [%] | 97.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 50mM imidizole, 9% 2-propanol, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |