6Y4N

Structure of Tubulin Tyrosine Ligase in Complex with Tb116

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	2018-12-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979490
Spacegroup name	P 21 21 21
Unit cell lengths	104.284, 154.969, 183.433
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.929 - 2.852
R-factor	0.1846
Rwork	0.183
R-free	0.22000
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.11.7 (6-FEB-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.930	2.901
High resolution limit [Å]	2.852	2.852
Rmerge	0.131	0.864
Number of reflections	69959	3461
<I/σ(I)>	11.1	2.1
Completeness [%]	100.0	100
Redundancy	6.7	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	30 mM calcium chloride, 30 mM magnesium chloride, 0.10 M MES pH 6.0, 2.0% w/v PEG 4000, 5.0% w/v glycerol