9IXB

Structure of tubulin and nitrogen-containing heterocyclic substituted podophyllotoxin derivatives complex

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	2023-04-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	104.597, 155.892, 181.504
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.980 - 3.480
R-factor	0.2238
Rwork	0.222
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.452
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]	25.980	3.604
High resolution limit [Å]	3.480	3.480
Rmerge	0.053
Rmeas	0.076
Rpim	0.053
Number of reflections	37680	3783
<I/σ(I)>	13.22
Completeness [%]	97.2
Redundancy	1.9
CC(1/2)		0.837

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