6CBZ

Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with Estradiol and GRIP Peptide

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	2014-08-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	56.126, 84.621, 58.587
Unit cell angles	90.00, 108.48, 90.00

Refinement procedure

Resolution	20.000 - 1.650
Rwork	0.184
R-free	0.21350
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.678
High resolution limit [Å]	1.650	1.650
Number of reflections	10801
<I/σ(I)>	12
Completeness [%]	98.6	34.8
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	20% PEG3350, 100 mM MgCl2, Tris pH 8.0