6OJE

Dimeric structure of LRRK2 GTPase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0331
Spacegroup name	P 1 21 1
Unit cell lengths	44.647, 103.688, 44.593
Unit cell angles	90.00, 101.20, 90.00

Refinement procedure

Resolution	43.800 - 1.950
R-factor	0.1623
Rwork	0.160
R-free	0.19620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	RocCOR domain (3DPU)
RMSD bond length	0.004
RMSD bond angle	1.366
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.072	0.049	0.457
Rmeas	0.078	0.053	0.516
Rpim	0.031	0.021	0.233
Total number of observations	189486
Number of reflections	31247	1617	1453
<I/σ(I)>	5.6
Completeness [%]	98.7	99.8	91.7
Redundancy	6.1	6.2	4.3
CC(1/2)		0.997	0.874

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6.5	298	100mM KSCN, 25% PEGMME 2000, 0.1M BisTris pH 6.5