1ERE

HUMAN ESTROGEN RECEPTOR LIGAND-BINDING DOMAIN IN COMPLEX WITH 17BETA-ESTRADIOL

Experimental procedure

Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1996-05-11
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	61.480, 115.160, 137.380
Unit cell angles	90.00, 98.80, 90.00

Refinement procedure

Resolution	20.000 - 3.100
R-factor	0.218 *
Rwork	0.218
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.039
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.150
High resolution limit [Å]	3.100	3.000
Rmerge	0.100 *
Number of reflections	33981
<I/σ(I)>	6	2.5
Completeness [%]	99.1	98.5
Redundancy	2.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.1	18 *	2.4M AMMONIUM FORMATE, 8% DIMETHYLSULPHOXIDE, 0.1M TRIS-HCL, PH 8.1

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7-13 (mg/ml)
2	1	reservoir	Tris-HCl	0.1 (M)
3	1	reservoir	ammonium formate	2.4 (M)
4	1	reservoir	dimethylsulphoxide	8 (%)