2NV7

Crystal Structure of Estrogen Receptor Beta Complexed with WAY-555

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	52.130, 88.676, 100.459
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.100
R-factor	0.211
Rwork	0.211
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ERb+W196 complex structure
RMSD bond length	0.010
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.100
Rmerge	0.075
Number of reflections	27204
Completeness [%]	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	precipitant: PEG3350, Mg formate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K