5D3F

Crystal structure of human 14-3-3 zeta in complex with CFTR R-domain peptide pS753-pS768 and stabilizer fusicoccin-A

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	2014-12-12
Detector	PSI PILATUS 6M
Wavelength(s)	0.978860
Spacegroup name	C 2 2 21
Unit cell lengths	69.607, 110.166, 132.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.011 - 2.740
R-factor	0.2483
Rwork	0.246
R-free	0.30260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.380
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	MOLREP
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.200	44.200	2.870
High resolution limit [Å]	2.740	9.090	2.740
Rmerge	0.074	0.057	0.305
Rpim	0.034	0.028	0.148
Total number of observations	77328	2200	6663
Number of reflections	13354
<I/σ(I)>	13.7	23.1	4.1
Completeness [%]	96.9	98.2	78.7
Redundancy	5.8	5.2	4.7
CC(1/2)	0.997	0.996	0.944

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	HEPES, NaCl, DTT, PEG6000