6LSM

Tubulin Polymerization Inhibitors

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	2020-01-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	105.553, 158.081, 182.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.869 - 2.751
R-factor	0.1824
Rwork	0.181
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.800
High resolution limit [Å]	2.750	7.430	2.750
Rmerge	0.129	0.046	0.726
Rmeas	0.135	0.048	0.765
Rpim	0.039	0.014	0.236
Total number of observations	911220
Number of reflections	79742	4256	3945
<I/σ(I)>	3.3
Completeness [%]	100.0	99.6	100
Redundancy	11.4	11.8	10.1
CC(1/2)		0.999	0.601

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