5WGD

Estrogen Receptor Alpha Ligand Binding Domain in Complex with Estradiol and SRC2-LP1

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	2016-07-15
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	56.037, 83.831, 58.375
Unit cell angles	90.00, 108.32, 90.00

Refinement procedure

Resolution	26.600 - 1.800
R-factor	0.177
Rwork	0.176
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dxe
RMSD bond length	0.006
RMSD bond angle	1.294
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	45402
<I/σ(I)>	19.2
Completeness [%]	96.4	94.2
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	PEG 3,350, MgCl2, Tris pH 8.5