7EN3

Crystal structure of tubulin in complex with Tubulysin analogue TGL

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	2021-03-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 21
Unit cell lengths	104.607, 154.216, 186.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.055 - 2.643
R-factor	0.201
Rwork	0.199
R-free	0.23940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
RMSD bond length	0.008
RMSD bond angle	1.316
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.055	50.000	2.740
High resolution limit [Å]	2.643	5.710	2.650
Number of reflections	87655	9300	8775
<I/σ(I)>	20.57
Completeness [%]	98.4
Redundancy	6.5
CC(1/2)	0.872	0.998	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	293	6% PEG, 5% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2