5VO0

Structure of a TRAF6-Ubc13~Ub complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 42 21 2
Unit cell lengths	181.114, 181.114, 97.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	128.400 - 3.900
R-factor	0.25468
Rwork	0.252
R-free	0.29920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hct
RMSD bond length	0.009
RMSD bond angle	1.731
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	128.400	49.370	4.360
High resolution limit [Å]	3.900	8.720	3.900
Rmerge	0.186	0.046	0.701
Rmeas	0.208	0.052	0.782
Rpim	0.091	0.023	0.340
Number of reflections	14890
<I/σ(I)>	7.9
Completeness [%]	97.9	95.8	98.6
Redundancy	4.9	4.6	4.9
CC(1/2)	0.993	0.997	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	100-200 mM Na/K tartrate, 11-15% PEG 3350 and 100 mM bis-Tris propane pH 7.5