6XP9
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide IN COMPLEX WITH (S,S)-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-03-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 85.029, 88.613, 105.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.940 - 2.270 |
| R-factor | 0.1962 |
| Rwork | 0.195 |
| R-free | 0.21990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bns |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.820 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7 (17-DEC-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.940 | 2.390 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.126 | 0.530 |
| Number of reflections | 37683 | 5391 |
| <I/σ(I)> | 9.1 | 3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.6 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 296 | 0.1 M Ammonium acetate, 0.1 M Sodium HEPES pH 7.5, 18-20 % w/v PEG 4000.Crystals were cryoprotected by supplementing the mother liquor with 20% (v/v) Glycerol and harvested by flash-cooling in liquid nitrogen |
