7YFK
The structure of human pregnane X receptor in complex with an SRC-1 coactivator peptide and a limonoid compound, nomilin
Replaces: 7CHGExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-06-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9789 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.986, 90.163, 106.391 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.300 - 2.100 |
Rwork | 0.194 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5x0r |
Data reduction software | XDS |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.300 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.054 | |
Number of reflections | 48171 | 4750 |
<I/σ(I)> | 19.68 | 2.3 |
Completeness [%] | 99.0 | |
Redundancy | 6.6 | |
CC(1/2) | 0.999 | 0.809 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 8 | 277.15 | 10% (v/v) 2-propanol, 100 mM Imidazole/ Hydrochloric acid, pH 8.0 |