4JDD

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	82.490, 111.430, 62.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 2.100
R-factor	0.1944
Rwork	0.192
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	1.992
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.800		2.150
High resolution limit [Å]	2.100	12.000	2.100
Rmerge	0.112	0.025	0.476
Number of reflections	17090	89	1144
<I/σ(I)>	17.79	57.79	4.77
Completeness [%]	99.8	74.2	100

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