7R62

Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Desmethyl ICI164,384 Derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.97
Spacegroup name	P 65 2 2
Unit cell lengths	58.709, 58.709, 274.292
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.670 - 1.500
R-factor	0.2023
Rwork	0.201
R-free	0.22980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ufx
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.670	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	41636	2288
<I/σ(I)>	24590
Completeness [%]	89.8
Redundancy	10
CC(1/2)	0.990	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 8000, Magnesium Chloride