30ZX

Binary structure of 14-3-3sigma and interaction cassette phosphopeptide 2

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 EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	C 2 2 21
Unit cell lengths	81.929, 111.675, 62.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.450 - 1.500
R-factor	0.15568
Rwork	0.154
R-free	0.17976
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.901
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.450	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	46145	2261
<I/σ(I)>	15
Completeness [%]	99.8
Redundancy	13.4
CC(1/2)	0.999	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	the complex was set up for hanging-drop crystallization with precipitation buffer consisting of 0.095 M HEPES (pH 7.1), 27% or 29% (v/v) PEG 400, 0.19 M CaCl2 and 5% (v/v) glycerol