8CLH

Drug cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) bound to tubulin (T2R-TTL) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SwissFEL ARAMIS BEAMLINE ESA
Synchrotron site	SwissFEL ARAMIS
Beamline	ESA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2020-02-28
Detector	PSI JUNGFRAU 16M
Wavelength(s)	1.03
Spacegroup name	P 21 21 21
Unit cell lengths	107.000, 160.340, 181.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.290 - 2.500
R-factor	0.1854
Rwork	0.185
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.087
Data reduction software	CrystFEL (0.8.0)
Data scaling software	CrystFEL (0.8.0)
Phasing software	PHENIX (1.20_4487)
Refinement software	PHENIX (1.20_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.290	2.500
High resolution limit [Å]	2.400	2.400
Number of reflections	121575	12016
<I/σ(I)>	6.15	0.77
Completeness [%]	100.0
Redundancy	350.9
CC(1/2)	0.980	0.321

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	SMALL TUBES	6.5	293	6% PEG4000 (w/v), 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole, 5 mM L-tyrosine