4RMD

Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with 9cUAB110 and coactivator peptide GRIP-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.97623
Spacegroup name	P 43 21 2
Unit cell lengths	65.971, 65.971, 112.347
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.209
Rwork	0.209
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oap
RMSD bond length	0.081
RMSD bond angle	0.240
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	2.140	1.970
High resolution limit [Å]	1.900	2.050	1.900
Rmerge	0.048
Number of reflections	238303
Completeness [%]	99.9	98.8	96.2
Redundancy	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	5-15% PEG4000, 4-12% Glycerol, 0.1M Bis-Tris pH=7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K