5NAS

Crystal structure of human 14-3-3 zeta in complex with PI4KIIIB peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	71.822, 83.553, 111.538
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.940 - 2.080
R-factor	0.19
Rwork	0.188
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5LHO
RMSD bond length	0.008
RMSD bond angle	1.023
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.940	2.154
High resolution limit [Å]	2.080	2.080
Rmerge	0.093	0.985
Number of reflections	41025	4034
<I/σ(I)>	21.76	3.38
Completeness [%]	100.0	100
Redundancy	15.9	16.2
CC(1/2)	0.998	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	MES, PEG, ethylene glycol