5JM4

Crystal structure of 14-3-3zeta in complex with a cyclic peptide involving an adamantyl and a dicarboxy side chain

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	2015-10-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.91909
Spacegroup name	P 21 21 21
Unit cell lengths	84.920, 105.740, 113.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.310 - 2.340
R-factor	0.2004
Rwork	0.198
R-free	0.24360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nkx
RMSD bond length	0.019
RMSD bond angle	2.202
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.770		2.600
High resolution limit [Å]	2.340	40.000	2.340
Rmerge	0.099	0.028	0.784
Rmeas	0.108	0.032	0.852
Total number of observations	286758
Number of reflections	44013	5	11766
<I/σ(I)>	12.52	24.43	2.78
Completeness [%]	99.9	31.2	100
Redundancy	6.52
CC(1/2)	0.999	0.998	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	0.09 M HEPES sodium salt pH 7.5; 1.26 M tri-Sodium citrate; 10 %(v/v) Glycerol