3A9E

Crystal structure of a mixed agonist-bound RAR-alpha and antagonist-bound RXR-alpha heterodimer ligand binding domains

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-29
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.07230
Spacegroup name	P 43 21 2
Unit cell lengths	105.300, 105.300, 111.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.882 - 2.750
R-factor	0.2045
Rwork	0.201
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dkf
RMSD bond length	0.002
RMSD bond angle	0.542
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.850
High resolution limit [Å]	2.750	2.750
Rmerge	0.097	0.333
Number of reflections	15407
<I/σ(I)>	15.2	5.5
Completeness [%]	90.8	99.6
Redundancy	6.7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	200mM potassium thiocyanate, 20% PEG 3350, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K