7UJW

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities

Replaces:  6VVP

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 1
Unit cell lengths	53.949, 58.974, 88.993
Unit cell angles	91.46, 102.06, 117.23

Refinement procedure

Resolution	47.590 - 2.600
Rwork	0.215
R-free	0.26300
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 (1.82)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.590	2.590
Rpim	0.040
Number of reflections	25437	1373
<I/σ(I)>	12.15
Completeness [%]	96.3
Redundancy	1.8
CC(1/2)		0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 8,000, Tris pH 8.0, MgCl2