7UJM

Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells

Replaces:  7KCDReplaces:  6VNN

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	2019-06-09
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.987
Spacegroup name	P 32
Unit cell lengths	58.467, 58.467, 275.346
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.330 - 1.800
R-factor	0.192
Rwork	0.190
R-free	0.23290
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]	44.330	1.850
High resolution limit [Å]	1.800	1.800
Rpim	0.033
Number of reflections	75567	3829
<I/σ(I)>	18.01
Completeness [%]	98.9
Redundancy	3.9
CC(1/2)		0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 8,000, MgCl2, Tris pH 7.5