7Q16

Human 14-3-3 zeta fused to the BAD peptide including phosphoserine-74

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	2020-09-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9724
Spacegroup name	C 2 2 21
Unit cell lengths	85.698, 112.147, 75.719
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.062 - 2.356
R-factor	0.1989
Rwork	0.197
R-free	0.24140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zfd
RMSD bond length	0.003
RMSD bond angle	0.564
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.062	2.523
High resolution limit [Å]	2.356	2.356
Number of reflections	11472	574
<I/σ(I)>	12.7	2.07
Completeness [%]	93.2
Redundancy	10.8
CC(1/2)	0.996	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.16 M calcium acetate, 0.08 M sodium cacodylate pH 6.5, 14.4 % w/v PEG 8000, 20 % v/v glycerol