1FBY

CRYSTAL STRUCTURE OF THE HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO 9-CIS RETINOIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	180
Detector technology	CCD
Collection date	1999-04-26
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	66.325, 86.358, 90.527
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.990 - 2.250
R-factor	0.228
Rwork	0.228
R-free	0.26300
RMSD bond length	0.011
RMSD bond angle	1.500
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]	15.000	2.350
High resolution limit [Å]	2.250	2.250
Rmerge	0.045	0.230
Total number of observations	87788 *
Number of reflections	22453
<I/σ(I)>	22.7
Completeness [%]	98.9	95.5
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	22 *	used micro and macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium formate	2-4.5 (M)
2	1	reservoir	Tris	50 (mM)
3	1	reservoir	glycerol	5-10 (%)
4	1	reservoir	propane-1,2-diol	17-23 (%)