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 (%)