5VNZ

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	C 2 2 21
Unit cell lengths	138.360, 170.551, 97.312
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	107.450 - 3.410
R-factor	0.2395
Rwork	0.237
R-free	0.29440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hct
RMSD bond length	0.008
RMSD bond angle	1.086
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]	107.450	48.660	3.680
High resolution limit [Å]	3.410	9.020	3.410
Rmerge	0.128	0.046	1.545
Rmeas	0.139	0.050	1.665
Rpim	0.052	0.020	0.615
Number of reflections	16046
<I/σ(I)>	9.7
Completeness [%]	99.6	98.9	98.3
Redundancy	7.1	6.3	7.1
CC(1/2)	0.997	0.996	0.640

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		289	0.05-0.3 mM sodium citrate, 100 mM bBis-Tris propane, and 17-23% PEG 3350