5SB8

Tubulin-maytansinoid-3-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	104.664, 157.491, 181.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.660 - 2.300
R-factor	0.195
Rwork	0.193
R-free	0.22990
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]	49.660	49.660	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.189	0.050	2.864
Rmeas	0.196	0.052	2.973
Total number of observations	1833232
Number of reflections	133463	1648	9786
<I/σ(I)>	10.9	45.2	0.93
Completeness [%]	100.0	98.7	100
Redundancy	13.738	12.665	13.956
CC(1/2)	0.998	0.998	0.389

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