5SBA

Tubulin-maytansinoid-4b-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	104.174, 156.450, 180.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.490 - 2.250
R-factor	0.186
Rwork	0.184
R-free	0.22690
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]	49.490	49.490	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.192	0.038	2.974
Rmeas	0.200	0.040	3.097
Total number of observations	1918037
Number of reflections	140740	1729	10289
<I/σ(I)>	11.85	56.31	0.84
Completeness [%]	100.0	98.8	100
Redundancy	13.628	12.699	12.873
CC(1/2)	0.998	0.999	0.343

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