5DXB

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P1 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	56.013, 85.939, 58.272
Unit cell angles	90.00, 108.41, 90.00

Refinement procedure

Resolution	27.590 - 2.080
R-factor	0.179
Rwork	0.177
R-free	0.21000
RMSD bond length	0.007
RMSD bond angle	1.434
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.590	2.144
High resolution limit [Å]	2.077	2.077
Rmerge		0.220
Number of reflections	29401
<I/σ(I)>	2.17
Completeness [%]	98.3	64
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	20% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0