1PQC
HUMAN LXR BETA HORMONE RECEPTOR COMPLEXED WITH T0901317
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-02-12 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.722, 103.262, 176.002 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.800 |
| R-factor | 0.19861 |
| Rwork | 0.195 |
| R-free | 0.26200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Thyroid hormone receptor beta ligand binding domain |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.490 |
| 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] | 40.490 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.084 * | 0.402 * |
| Total number of observations | 92460 * | |
| Number of reflections | 27153 | |
| <I/σ(I)> | 7.6 | 1.9 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 3.4 | 3.3 |
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 (%) |
