6S41
CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.318, 89.002, 105.815 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.110 - 2.700 |
| R-factor | 0.21415 |
| Rwork | 0.213 |
| R-free | 0.25901 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.456 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.110 | 2.950 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.086 | 0.449 |
| Number of reflections | 21795 | 5020 |
| <I/σ(I)> | 12.16 | |
| Completeness [%] | 96.9 | 97.6 |
| Redundancy | 2.8 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 |
