4M8H

CRYSTAL STRUCTURE OF HUMAN RETINOID X RECEPTOR ALPHA-LIGAND BINDING DOMAIN COMPLEX WITH (R)4-METHYL 9cUAB30 AND COACTIVATOR PEPTIDE GRIP-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-02-19
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.315
Spacegroup name	P 43 21 2
Unit cell lengths	65.920, 65.920, 111.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.300 - 2.200
R-factor	0.228
Rwork	0.228
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oap
RMSD bond length	0.006
RMSD bond angle	1.140
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.300	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.078
Number of reflections	12013
<I/σ(I)>	11.2
Completeness [%]	91.8	94.5
Redundancy	2.86	2.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	4-20% PEG4000, 4-16% GLYCEROL, 0.1M BIS-TRIS, PH7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K