5MYC

Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS910

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)	0.978620
Spacegroup name	C 2 2 21
Unit cell lengths	82.517, 112.411, 62.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.848 - 1.459
R-factor	0.1671
Rwork	0.166
R-free	0.18870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5btv
RMSD bond length	0.006
RMSD bond angle	0.750
Data reduction software	XDS
Data scaling software	XDS
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.618	1.540
High resolution limit [Å]	1.088	1.460
Rmerge	0.124	1.086
Rmeas	0.129
Rpim	0.035
Number of reflections	116840
<I/σ(I)>	14.99	2.2
Completeness [%]	99.7	98.7
Redundancy	4.6	11.8
CC(1/2)		0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	HEPES, NaCl2, PEG400, Glycerol