8WMO

Crystal structure analysis of tubulin and heterocyclic podophyllotoxins complex for anticancer agents

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	103.820, 156.446, 179.393
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.860 - 2.890
R-factor	0.2259
Rwork	0.224
R-free	0.26620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.276
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.996
High resolution limit [Å]	2.890	2.893
Number of reflections	65706	6356
<I/σ(I)>	71.89
Completeness [%]	99.6
Redundancy	6.7
CC(1/2)	0.850	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	6% glycerol, 6% PEG4000, 30 mM MgCl2, 30 mM CaCl2, 100 mM MES-Na