6DJX

Crystal Structure of pParkin-pUb-UbcH7 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.238
Spacegroup name	P 31 2 1
Unit cell lengths	135.669, 135.669, 87.993
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.858 - 4.801
R-factor	0.2585
Rwork	0.257
R-free	0.28980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 5N2W & 1C4Z
RMSD bond length	0.004
RMSD bond angle	0.765
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.840	48.860	4.970
High resolution limit [Å]	4.800	10.730	4.800
Rmerge	0.078	0.046	0.621
Rmeas		0.049
Rpim		0.017
Number of reflections	4791	468	467
<I/σ(I)>	17.3		4.3
Completeness [%]	100.0	99.1	100
Redundancy	9.7	7.6	10.1
CC(1/2)	0.999	0.999	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1 M HEPES, pH 6.5, 6% isopropanol, 50 mM magnesium chloride, 5% w/v PEG4000