5DXG

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Stapled Peptide SRC2-P5

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	56.121, 85.274, 58.613
Unit cell angles	90.00, 108.64, 90.00

Refinement procedure

Resolution	31.440 - 1.860
R-factor	0.169
Rwork	0.167
R-free	0.20000
RMSD bond length	0.008
RMSD bond angle	1.398
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.440	1.900
High resolution limit [Å]	1.856	1.860
Rmerge		0.240
Number of reflections	43585
<I/σ(I)>	1.7	1.7
Completeness [%]	99.9	85
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25% PEG 3,350, 200 mM MgCl2, 100 mM Tris pH 8.0