6TH4

Tubulin-inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-05-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978570
Spacegroup name	P 21 21 21
Unit cell lengths	65.124, 128.304, 252.718
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	126.000 - 2.121
R-factor	0.1939
Rwork	0.192
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ryc
RMSD bond length	0.008
RMSD bond angle	0.930
Data reduction software	XDS (Mar 15, 2019)
Data scaling software	autoPROC (1.05)
Phasing software	PHASER (2.8.0)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	126.000	2.420
High resolution limit [Å]	2.120	2.120
Rmeas	0.076	1.151
Number of reflections	62794	3141
<I/σ(I)>	15.1	1.8
Completeness [%]	94.0
Redundancy	6.5
CC(1/2)	0.999	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG, LiSO4, PIPES BUFFER, pH 6.80