3ERT

HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH 4-HYDROXYTAMOXIFEN

Replaces:  2ERT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-03
Detector	MARRESEARCH
Spacegroup name	P 65 2 2
Unit cell lengths	58.242, 58.242, 277.467
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.000 - 1.900
R-factor	0.229 *
Rwork	0.229
R-free	0.26200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lbd
RMSD bond length	0.006
RMSD bond angle	21.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.854)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.070 *	0.646 *
Total number of observations	269253 *
Number of reflections	23064
<I/σ(I)>	16.1	2.1
Completeness [%]	99.1	97.1
Redundancy	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7	19-21 *	WELL: 25-27%(W/V) PEG 4000, 0.180 M SODIUM ACETATE, 0.90 M TRIS PH 8.75-9.0 PROTEIN: 4.3 G/L TEMPERATURE: 19-21 DEGREES C, pH 7.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.3 (mg/ml)
2	1	reservoir	PEG4000	25-27 (%(w/v))
3	1	reservoir	Tris-HCl	90 (mM)
4	1	reservoir	Na acetate	180 (mM)