4ZO1

Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2007-02-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9
Spacegroup name	P 31 2 1
Unit cell lengths	63.252, 63.252, 225.806
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.925 - 3.221
R-factor	0.2386
Rwork	0.236
R-free	0.28130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.648
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.6_289)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.200	6.890	3.200
Rmerge	0.090	0.042
Total number of observations	99578
Number of reflections	8950
<I/σ(I)>	10.5
Completeness [%]	96.3	94.6	86.8
Redundancy	11.1	11.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	294	20% PEG 3350, 100 mM Tris pH 8.0, 0.1 M ammonium acetate, and 1 mM Methoprene acid