7E4Q

Crystal structure of tubulin in complex with L-DM1-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	2017-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97908
Spacegroup name	P 21 21 21
Unit cell lengths	104.893, 157.209, 181.658
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.878 - 2.501
R-factor	0.2059
Rwork	0.205
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tv8
RMSD bond length	0.003
RMSD bond angle	0.696
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.062	0.030	0.623
Rmeas	0.068	0.033	0.727
Rpim	0.028	0.012	0.362
Total number of observations	538867
Number of reflections	101948	5495	4724
<I/σ(I)>	12.7
Completeness [%]	97.8	98.8	92
Redundancy	5.3	7	3.5
CC(1/2)		0.999	0.755

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