6EQI

Structure of PINK1 bound to ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-22
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 31 2 1
Unit cell lengths	105.711, 105.711, 149.451
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.830 - 3.100
R-factor	0.2049
Rwork	0.203
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q5i
RMSD bond length	0.004
RMSD bond angle	0.648
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.830	3.310
High resolution limit [Å]	3.100	3.100
Rmerge	0.140	1.180
Number of reflections	18000
<I/σ(I)>	11.67	2.1
Completeness [%]	99.5	100
Redundancy	7.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	The PhPINK1-Nb696-Ub TVLN complex was crystallised at 7 mg/ml using sitting-drop vapour diffusion against 1.3 M Ammonium Tartrate Dibasic, 0.1 M BIS-TRIS Propane pH 7.0 from a 1:1 protein to mother liquor ratio, in 100 nl drops at 295.15 K. Crystals were optimised using streak seeding with a cat whisker at 8.9 mg/ml complex concentration in 1.4 M Ammonium Tartrate, 0.1 M BIS-TRIS Propane pH 6.3 at 295.15 K.