6K9V

Crystal structure of tubulin in complex with inhibitor D64

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	2017-03-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97908
Spacegroup name	P 21 21 21
Unit cell lengths	104.219, 157.435, 180.045
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.726 - 2.543
R-factor	0.2166
Rwork	0.216
R-free	0.24760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cb4
RMSD bond length	0.003
RMSD bond angle	0.677
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.543	2.543
Number of reflections	95534	6270
<I/σ(I)>	12
Completeness [%]	99.7
Redundancy	6.1

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