6VPF

Estrogen Receptor Alpha Ligand Binding Domain in Complex with the Selective Estrogen Receptor Modulator Clomiphene

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	MAR CCD 165 mm
Wavelength(s)	0.987
Spacegroup name	P 32
Unit cell lengths	58.330, 58.330, 275.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.690 - 1.600
R-factor	0.2024
Rwork	0.201
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6VIG
RMSD bond length	0.005
RMSD bond angle	0.956
Data reduction software	HKL-2000
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	1.630
High resolution limit [Å]	1.600	1.600
Rpim	0.040
Number of reflections	98256	4958
<I/σ(I)>	20
Completeness [%]	94.9
Redundancy	3.1
CC(1/2)		0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 3,350, Tris pH 7.5, MgCl2