7E4Y

Crystal structure of tubulin in complex with L-DM4-SMe

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97980
Spacegroup name	P 21 21 21
Unit cell lengths	103.991, 156.034, 182.357
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.512 - 2.708
R-factor	0.1976
Rwork	0.196
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tv8
RMSD bond length	0.003
RMSD bond angle	0.686
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.800
High resolution limit [Å]	2.700	5.810	2.700
Rmerge	0.115	0.056	0.792
Rmeas	0.120	0.059	0.823
Rpim	0.033	0.016	0.223
Total number of observations	1071851
Number of reflections	81337	8526	8048
<I/σ(I)>	4.4
Completeness [%]	100.0	100	100
Redundancy	13.2	12.4	13.3
CC(1/2)		0.999	0.904

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	293	6% poly(ethylene glycol) 4000, 8% glycerol, 0.1 M MES (pH 6.7), 30 mM CaCl2, 30 mM MgCl2