8C43

Ternary structure of 14-3-3sigma, strep-tagged 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	81.788, 112.035, 62.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.340 - 1.400
R-factor	0.1799
Rwork	0.179
R-free	0.19160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jc3
RMSD bond length	0.007
RMSD bond angle	1.030
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]	45.340	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	53914	2447
<I/σ(I)>	23.8	2.7
Completeness [%]	95.5
Redundancy	13.9
CC(1/2)	1.000	0.780

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