7UJF

Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties

Replaces:  6VMU

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	2019-06-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.987
Spacegroup name	P 32
Unit cell lengths	58.655, 58.655, 276.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.677 - 1.700
R-factor	0.1969
Rwork	0.195
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ufx
RMSD bond length	0.009
RMSD bond angle	1.218
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rpim	0.083
Number of reflections	117080	1393
<I/σ(I)>	10.1
Completeness [%]	100.0
Redundancy	4.9
CC(1/2)		0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 8,000, Tris pH 7.7, MgCl2