8C42

Ternary structure of 14-3-3sigma, PKA-responsive ERa phosphopeptide and Fusicoccin-A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	81.726, 111.773, 62.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.410 - 1.400
R-factor	0.1811
Rwork	0.180
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.006
RMSD bond angle	1.031
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.410	1.430
High resolution limit [Å]	1.400	1.400
Number of reflections	54766	2615
<I/σ(I)>	19.4	2.4
Completeness [%]	97.2
Redundancy	13.6
CC(1/2)	0.999	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.095 M Hepes pH 7.1, 0.19 M CaCl2, 25% PEG400, 5% glycerol