2P1U

Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-ethoxy)-tetrahydronaphtyl cinnamic acid and a fragment of the coactivator TIF-2

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	2006-11-12
Detector	ADSC QUANTUM 315
Spacegroup name	P 43 21 2
Unit cell lengths	67.638, 67.638, 109.996
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 2.200
R-factor	0.201
Rwork	0.199
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mvc
RMSD bond length	0.009
RMSD bond angle	1.114
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.600	36.670	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.072	0.044	0.229
Total number of observations		4481	24960
Number of reflections	13588
<I/σ(I)>	7.3	9.1	3.1
Completeness [%]	99.8	94.3	100
Redundancy	12.3	9.3	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	14% PEG 10000, 0.1M Tris, 1M ammonium chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K