4JC3

14-3-3 protein interaction with Estrogen Receptor Alpha provides a novel drug target interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-08-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	82.210, 112.490, 62.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.520 - 2.050
R-factor	0.18068
Rwork	0.178
R-free	0.23512
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.767
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.520	4.000	2.100
High resolution limit [Å]	2.050	3.000	2.050
Rmerge	0.078	0.047	0.324
Number of reflections	18505
<I/σ(I)>	24.16	38.85	6.85
Completeness [%]	99.8	100	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277.15	0.095M HEPES Na, 0.19M calcium chloride, 5% glycerol, 26.6% PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K