8BDE

Tubulin-baccatin III complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.99987
Spacegroup name	P 21 21 21
Unit cell lengths	104.100, 157.150, 179.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.195 - 1.902
R-factor	0.1921
Rwork	0.192
R-free	0.21770
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5lxt
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.195	49.195	1.950
High resolution limit [Å]	1.900	8.510	1.900
Rmerge	0.107	0.021	4.919
Rmeas	0.111	0.022	5.131
Total number of observations	3109004
Number of reflections	229672	2799	16780
<I/σ(I)>	16.49	94.91	0.54
Completeness [%]	100.0	99.1	99.8
Redundancy	13.537	12.775	12.428
CC(1/2)	1.000	1.000	0.178

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.7	293	2-4% PEG 4K, 2-10% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole