5W9D

Estrogen Receptor Alpha Ligand Binding Domain C381S, C417S, C530S Mutant in Complex with Endoxifen

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	IMAGE PLATE
Collection date	2016-04-16
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97
Spacegroup name	P 65
Unit cell lengths	57.980, 57.980, 277.001
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.615 - 1.646
R-factor	0.169
Rwork	0.168
R-free	0.19520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5acc
RMSD bond length	0.018
RMSD bond angle	1.757
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.615
High resolution limit [Å]	1.646
Number of reflections	56989
<I/σ(I)>	2
Completeness [%]	90.0
Redundancy	3.7

Crystallization Conditions

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