7N9O

Estrogen Receptor Alpha Ligand Binding Domain in Complex with Aliphatic SERD S-C10(15)

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	2019-06-03
Detector	MAR CCD 165 mm
Wavelength(s)	0.97
Spacegroup name	P 32
Unit cell lengths	58.158, 58.158, 274.394
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.540 - 2.000
R-factor	0.1842
Rwork	0.182
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ufx
RMSD bond length	0.007
RMSD bond angle	1.032
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]	50.000	2.073
High resolution limit [Å]	2.000	2.000
Rpim	0.011
Number of reflections	66111	3634
<I/σ(I)>	23.83
Completeness [%]	94.5
Redundancy	5.5
CC(1/2)	0.990	0.635

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 8000, magnesium chloride