1PQ9
HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317 COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.866, 103.606, 176.378 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.840 - 2.100 |
| R-factor | 0.21626 |
| Rwork | 0.214 |
| R-free | 0.27900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Thyroid hormone receptor beta ligand binding domain |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.380 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.840 | 2.155 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.066 * | 0.276 * |
| Total number of observations | 231983 * | |
| Number of reflections | 62281 * | |
| <I/σ(I)> | 5 | 2.7 |
| Completeness [%] | 99.8 * | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | isopropanol, peg 4000, hepes, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | isopropanol | 8.5 (%) | |
| 2 | 1 | reservoir | PEG4000 | 17 (%) | |
| 3 | 1 | reservoir | HEPES | 85 (mM) | pH7.5 |
| 4 | 1 | reservoir | glycerol | 15 (%) |
