8WMU

Structural basis of tubulin and heterocyclic podophyllotoxins complex for anticancer agents with dual-binding sites

This is a non-PDB format compatible entry.

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	2021-07-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	104.572, 157.618, 179.348
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.830 - 2.700
R-factor	0.1996
Rwork	0.197
R-free	0.24540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.065
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	2.796
High resolution limit [Å]	2.700	2.700
Number of reflections	80188	7102
<I/σ(I)>	39.91
Completeness [%]	97.7
Redundancy	6.7
CC(1/2)	0.900	0.800

Crystallization Conditions

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