3L0E
X-ray crystal structure of a Potent Liver X Receptor Modulator
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 41 2 2 |
| Unit cell lengths | 114.855, 114.855, 56.407 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.740 - 2.300 |
| R-factor | 0.20316 |
| Rwork | 0.202 |
| R-free | 0.23661 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pq9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.194 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (Phenix) |
| Refinement software | REFMAC (6.0.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.065 | 0.400 |
| Number of reflections | 16707 | |
| <I/σ(I)> | 34 | 4.3 |
| Completeness [%] | 94.0 | 79.5 |
| Redundancy | 10.8 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 1:1 (v/v) ratio of the protein complex and PEG 2K MME 20%, 0.2mM MgCl2, 0.1mM TRIS HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
