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 (%)