4S0S
STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN with ADNECTIN-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 | 2012-02-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 4 |
| Unit cell lengths | 119.234, 119.234, 83.706 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.910 - 2.800 |
| R-factor | 0.2168 |
| Rwork | 0.216 |
| R-free | 0.22920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Refinement software | BUSTER-TNT (BUSTER 2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.560 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.038 | 0.566 |
| Number of reflections | 29146 | |
| <I/σ(I)> | 26 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M HEPES pH 7.0, 18%(V/V)1,6 hexanediol, and 3% (V/V) MPD. Crystals harvested next day using mother liquor supplemented with 21%(V/V) 1,6 hexanediol and 3%(V/V) MPD as cryoprotectant, vapor diffusion, hanging drop, temperature 293K |
