5DX3

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P3 and Estradiol

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	2015-08-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	56.162, 85.851, 58.764
Unit cell angles	90.00, 109.09, 90.00

Refinement procedure

Resolution	26.536 - 2.090
R-factor	0.212
Rwork	0.210
R-free	0.25710
RMSD bond length	0.009
RMSD bond angle	1.537
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	26.540
High resolution limit [Å]	2.090
Number of reflections	29884
<I/σ(I)>	1.7
Completeness [%]	98.5
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	15% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0