1BY4

STRUCTURE AND MECHANISM OF THE HOMODIMERIC ASSEMBLY OF THE RXR ON DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	113
Detector technology	IMAGE PLATE
Collection date	1997-12-14
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	70.930, 33.650, 101.400
Unit cell angles	90.00, 89.95, 90.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.219 *
Rwork	0.234
R-free	0.28800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2nul
RMSD bond length	0.017 *
RMSD bond angle	2.222 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	6.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.081	0.419
Number of reflections	46828
<I/σ(I)>	10.39
Completeness [%]	85.7	83.2
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	8 *	25 MM TRIS BUFFER (PH 7.5),20% PEG3350, 5 MM MGCL2, 400MM NH4CL

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	25 (mM)
2	1	drop	protein	0.9 (mM)
3	1	drop	DNA	0.45 (mM)
4	1	reservoir	PEG3350	18-23 (%)
5	1	reservoir	Tris	25 (mM)
6	1	reservoir		5 (mM)
7	1	reservoir		400 (mM)