7E4P

Crystal structure of tubulin in complex with Ansamitocin P3

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	2017-04-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97908
Spacegroup name	P 21 21 21
Unit cell lengths	105.399, 158.569, 181.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.248 - 2.400
R-factor	0.2131
Rwork	0.213
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tv8
RMSD bond length	0.003
RMSD bond angle	0.736
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	2.460
High resolution limit [Å]	2.396	5.920	2.400
Rmerge	0.131	0.083	0.768
Rmeas	0.143	0.090	0.847
Rpim	0.055	0.035	0.348
Number of reflections	119194	8415	7439
<I/σ(I)>	5.1
Completeness [%]	99.4	99.8	94.3
Redundancy	6.6	6.5	5.4
CC(1/2)		0.991	0.703

Crystallization Conditions

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