5MY9

Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS935

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-26
Detector	PSI PILATUS 6M
Wavelength(s)	0.9786
Spacegroup name	C 2 2 21
Unit cell lengths	82.291, 112.030, 62.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.458 - 1.327
R-factor	0.1872
Rwork	0.186
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5btv
RMSD bond length	0.007
RMSD bond angle	0.820
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.11 2567)
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.400
High resolution limit [Å]	1.088	1.330
Rmerge	0.082	0.909
Rmeas	0.085
Rpim	0.024
Number of reflections	380505
<I/σ(I)>	21.96	2.3
Completeness [%]	99.6	97.8
Redundancy	8.2	11.7
CC(1/2)		0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	277	HEPES, NaCl, DTT