2P1V

Crystal structure of the ligand binding domain of the retinoid X receptor alpha in complex with 3-(2'-propoxy)-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	64.148, 64.148, 113.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.400 - 2.200
R-factor	0.198
Rwork	0.196
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mvc
RMSD bond length	0.009
RMSD bond angle	1.199
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.400	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.094	0.235
Total number of observations		16418
Number of reflections	11503
<I/σ(I)>	5.7	2.9
Completeness [%]	91.6	87.1
Redundancy	10.2	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	24% PEG 4000, 0.1M Tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K