8RRM

tripartite complex between 14-3-3 sigma, Fusicoccin-A, and a phosphopeptide optimized for a Fusicoccin-mediated stabilization of the complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-02-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.8856
Spacegroup name	C 1 2 1
Unit cell lengths	138.330, 55.910, 82.750
Unit cell angles	90.00, 101.71, 90.00

Refinement procedure

Resolution	47.440 - 2.000
R-factor	0.185
Rwork	0.183
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.878
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5015: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.440	47.440	1.910
High resolution limit [Å]	1.800	5.370	1.800
Rmerge	0.072	0.030	3.282
Rmeas	0.085	0.036	3.846
Number of reflections	111525	4191	17959
<I/σ(I)>	7.81
Completeness [%]	99.1
Redundancy	3.56
CC(1/2)	0.999	0.999	0.216

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	20% PEG 6000, 100mM Tris pH 8.5