6LSN

Crystal structure of tubulin-inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	105.296, 158.458, 181.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.167 - 2.445
R-factor	0.1774
Rwork	0.177
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.445	6.650	2.450
Rmerge	0.131	0.048	1.069
Rmeas	0.143	0.052	1.170
Rpim	0.055	0.020	0.472
Number of reflections	112697	5994	5556
<I/σ(I)>	2.7
Completeness [%]	100.0	99.9	100
Redundancy	6.6	6.3	5.9
CC(1/2)		0.998	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	277	6% PEG, 5% glycerol, 0.1M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7