5ZUJ

Binding and Enhanced Binding between Key Immunity Proteins TRAF6 and TIFA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-19
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 61 2 2
Unit cell lengths	51.518, 51.518, 335.679
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.616 - 2.600
R-factor	0.1953
Rwork	0.193
R-free	0.24160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lb5
RMSD bond length	0.008
RMSD bond angle	1.012
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.620	2.693
High resolution limit [Å]	2.600	2.600
Rmerge	0.051	0.414
Rmeas	0.071	0.586
Rpim	0.051	0.414
Number of reflections	9019	863
<I/σ(I)>	10.57	2.17
Completeness [%]	99.8	99.88
Redundancy	1.96
CC(1/2)	0.997	0.777

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.5	277	0.1 M HEPES sodium, pH 7.5, 1M Sodium citrate tribasic dihydrate, 10 mM TCEP