5SBD

Tubulin-maytansinoid-5b-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	105.075, 158.601, 180.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.580 - 2.250
R-factor	0.1808
Rwork	0.179
R-free	0.21400
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]	49.580	49.580	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.148	0.030	1.805
Rmeas	0.153	0.032	1.879
Total number of observations	1958172
Number of reflections	143010	1760	10395
<I/σ(I)>	15.08	67.58	1.37
Completeness [%]	99.6	98.7	99.3
Redundancy	13.693	12.706	12.985
CC(1/2)	0.999	1.000	0.561

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