1U3S

Crystal Structure of Estrogen Receptor beta complexed with WAY-797

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS
Synchrotron site	ALS
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	1.10
Spacegroup name	P 21 21 21
Unit cell lengths	52.264, 88.204, 99.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.530 - 2.500
R-factor	0.212
Rwork	0.210
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500
Number of reflections	16325
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.9	291	PEG3350, Mg formate , pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K