6PIT

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with SRC2 Stapled Peptide 41A 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	2019-06-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	55.534, 71.030, 58.082
Unit cell angles	90.00, 108.68, 90.00

Refinement procedure

Resolution	43.500 - 2.250
Rwork	0.214
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6cbz
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (v1.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.370
High resolution limit [Å]	2.250	2.250
Rpim	0.136
Number of reflections	18168	6634
<I/σ(I)>	13.5
Completeness [%]	99.5	97.7
Redundancy	3.3	2.4
CC(1/2)		0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	20 mM Tris pH 8.0, 15% PEG 3,350, 200 mM MgCl2