9FUM

Dimeric 14-3-3 zeta in complex with MAP2c peptide containing pS435

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-09
Detector	DECTRIS EIGER2 X CdTe 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	74.394, 69.137, 82.797
Unit cell angles	90.00, 112.00, 90.00

Refinement procedure

Resolution	48.830 - 2.450
R-factor	0.21352
Rwork	0.210
R-free	0.27521
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.919
Data reduction software	XDS (XDSGUI)
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.830	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.128	1.264
Rmeas	0.137	1.354
Rpim	0.049	0.479
Total number of observations	222336	24391
Number of reflections	28553	3151
<I/σ(I)>	11.8	1.9
Completeness [%]	99.1
Redundancy	7.8	7.7
CC(1/2)	0.999	0.690

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	100 mM HEPES pH(7.5), 400 mM Sodium acetate, 8mM Cadmium sulfate