5SBE

Tubulin-maytansinoid-5c-complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-23
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	105.118, 158.404, 181.377
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.060 - 2.750
R-factor	0.1934
Rwork	0.192
R-free	0.22970
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	5lxt
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.19.1_4122)
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.060	48.060	2.820
High resolution limit [Å]	2.750	12.300	2.750
Rmerge	0.346	0.046	3.106
Rmeas	0.360	0.049	3.229
Total number of observations	1072044
Number of reflections	79317	988	5775
<I/σ(I)>	9.81	44.72	0.91
Completeness [%]	99.9	97.6	100
Redundancy	13.516	12.004	13.407
CC(1/2)	0.993	0.999	0.337

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	3% PEG 4K, 4% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole, 5 mM L-tyrosine