5SB9

Tubulin-maytansinoid-4a-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	2020-12-16
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	104.539, 156.717, 181.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.920 - 2.500
R-factor	0.1959
Rwork	0.194
R-free	0.22820
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]	47.920	47.920	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.212	0.043	2.412
Rmeas	0.220	0.044	2.503
Total number of observations	1413808
Number of reflections	103685	1287	7576
<I/σ(I)>	11.52	49.13	1.14
Completeness [%]	100.0	98.4	100
Redundancy	13.636	12.448	14.111
CC(1/2)	0.998	0.998	0.469

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