3OAP

Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 9-cis retinoic acid and the coactivator peptide GRIP-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	98
Detector technology	CCD
Collection date	2009-02-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	65.831, 65.831, 111.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
Rwork	0.204
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.135
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.075	0.039	0.656
Number of reflections	20159
<I/σ(I)>	11.2
Completeness [%]	99.9	99.6	99.5
Redundancy	13.5	12.9	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	4-20% PEG4000, 4-16% glycerol, 0.1M Bis-Tris, pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 296K