7UJC

Raloxifene in Complex with Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutation

Replaces:  7KCA

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	2019-06-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	102.557, 57.841, 87.938
Unit cell angles	90.00, 103.74, 90.00

Refinement procedure

Resolution	29.180 - 1.780
R-factor	0.1936
Rwork	0.192
R-free	0.23000
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]	29.180	1.820
High resolution limit [Å]	1.780	1.780
Number of reflections	39306	4800
<I/σ(I)>	2.47
Completeness [%]	98.6
Redundancy	3.6
CC(1/2)	0.980	0.510

Crystallization Conditions

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