1MZN

CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	93
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.90
Spacegroup name	P 1
Unit cell lengths	47.119, 64.694, 94.784
Unit cell angles	109.97, 92.87, 89.99

Refinement procedure

Resolution	30.000 - 2.000 *
R-factor	0.195
Rwork	0.195
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB id 1FBY
RMSD bond length	0.006 *
RMSD bond angle	1.167 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.000
High resolution limit [Å]	2.000 *	2.000 *
Rmerge	0.063	0.124 *
Total number of observations	194870 *
Number of reflections	79918 *
<I/σ(I)>	15.6	7.9
Completeness [%]	95.9 *	96.6
Redundancy	2.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	4 *	PEG 4000, NaCl, Pipes, BisTris, glycerol, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PIPES	100 (mM)	pH7.0
2	1	reservoir	PEG4000	5-20 (%)
3	1	reservoir	glycerol	5-20 (%)