1ZAF

Crystal structure of estrogen receptor beta complexed with 3-Bromo-6-hydroxy-2-(4-hydroxy-phenyl)-inden-1-one

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	1999-12-26
Detector	ADSC QUANTUM 4
Wavelength(s)	1.2
Spacegroup name	P 21 21 21
Unit cell lengths	52.281, 89.213, 99.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.910 - 2.200
R-factor	0.226
Rwork	0.226
R-free	0.28600
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.013
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.094	0.348
Number of reflections	23329
<I/σ(I)>	15.6	3.08
Completeness [%]	96.6	98.5
Redundancy	5.7	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	15% PEG3350, 0.2M Mg Acetate, pH 7.5, VAPOR DIFFUSION, temperature 291K