3ERD

HUMAN ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN IN COMPLEX WITH DIETHYLSTILBESTROL AND A GLUCOCORTICOID RECEPTOR INTERACTING PROTEIN 1 NR BOX II PEPTIDE

Replaces:  2ERD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-05
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	54.094, 82.217, 58.041
Unit cell angles	90.00, 111.33, 90.00

Refinement procedure

Resolution	27.000 - 2.030
R-factor	0.196 *
Rwork	0.196
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lbd
RMSD bond length	0.005
RMSD bond angle	21.600 *
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]	27.000	2.070
High resolution limit [Å]	2.030	2.030
Rmerge	0.078 *	0.519 *
Total number of observations	104189 *
Number of reflections	30265
<I/σ(I)>	9.8	1.8
Completeness [%]	98.4	98
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	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 8.5

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)