4N84

Crystal structure of 14-3-3zeta in complex with a 12-carbon-linker cyclic peptide derived from ExoS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-13
Detector	PSI PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	83.240, 105.180, 113.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.740 - 2.500
R-factor	0.2045
Rwork	0.202
R-free	0.24890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.166
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.740		2.600
High resolution limit [Å]	2.500	12.000	2.500
Rmerge	0.085	0.041	0.773
Number of reflections	35246	376	3865
<I/σ(I)>	20.08	39.99	4.16
Completeness [%]	100.0	97.4	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	277.15	1 M potassium sodium tartrate, 0.1 M sodium chloride, 0.1 M imidazole, pH 8.0, cryoprotectant: 20% glycerol, VAPOR DIFFUSION, temperature 277.15K