1A52

ESTROGEN RECEPTOR ALPHA LIGAND-BINDING DOMAIN COMPLEXED TO ESTRADIOL

Experimental procedure

Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1997-06
Detector	RIGAKU
Spacegroup name	H 3 2
Unit cell lengths	147.000, 147.000, 168.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.223
Rwork	0.223
R-free	0.27400
Structure solution method	MIR
RMSD bond length	0.001
RMSD bond angle	17.019 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.3A)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.068	0.404
Number of reflections	33401
<I/σ(I)>	19.3	2.6
Completeness [%]	99.1	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	18 *	WELL: 100 MM TRIS PH 7.6 480 MM MGCL2 10 MM MGOAC2 10% ETHYLENE GLYCOL 5% PEG 4000. PROTEIN STOCK: 18 MG/ML ERLBD 25 MM TRIS PH 7.4 200 MM NACL 1 MM EDTA 1 MM DTT 20 MICROMOLAR ESTRADIOL 0.1% BETA-OCTYL GLUCOSIDE AT 18 CELSIUS., vapor diffusion - hanging drop, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	100 (mM)	pH7.6
2	1	reservoir		480 (mM)
3	1	reservoir	magnesium acetate	10 (mM)
4	1	reservoir	ethylene glycol	10 (%)
5	1	reservoir	PEG4000	5 (%)