6V8T

Estrogen Receptor Alpha Ligand Binding Domain Y537S in Complex with LSZ102

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	2019-10-24
Detector	MAR CCD 165 mm
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	105.370, 53.676, 96.848
Unit cell angles	90.00, 113.74, 90.00

Refinement procedure

Resolution	42.170 - 2.100
R-factor	0.209
Rwork	0.207
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6psj
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.100	2.100
Rmerge	0.043	0.536
Number of reflections	28729	28729
<I/σ(I)>	17.1
Completeness [%]	98.9	91.2
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	PEG 8000, TRIS pH 7.0, MgCl2