6BD2

Complex of 14-3-3 theta with an IRSp53 peptide doubly-phosphorylated at T340 and S366

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-15
Detector	APEX II CCD
Wavelength(s)	1.540
Spacegroup name	P 21 21 21
Unit cell lengths	69.883, 75.002, 100.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	60.048 - 2.900
R-factor	0.2145
Rwork	0.212
R-free	0.25390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2br9
RMSD bond length	0.003
RMSD bond angle	0.529
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.050	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.278	0.344
Number of reflections	12087	1064
<I/σ(I)>	17	2.1
Completeness [%]	98.8	91.4
Redundancy	7.2	1.9
CC(1/2)	0.880	0.629

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291.15	0.1 M CaCl2, 13% Peg 3350