8AHM

Crystal structure of tubulin in complex with C(13)/C(13')-Bis-Desmethyl-Disorazole Z

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97918498465
Spacegroup name	P 21 21 21
Unit cell lengths	105.047, 157.800, 181.894
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.840 - 2.420
R-factor	0.2019
Rwork	0.200
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4o2b
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.840	49.840	2.460
High resolution limit [Å]	2.420	13.250	2.420
Rmerge	0.092	0.033	1.251
Rmeas	0.098	0.036	1.332
Rpim	0.032	0.013	0.451
Total number of observations	1023152	6188	46780
Number of reflections	115614	786	5508
<I/σ(I)>	14.4	44.9	1.6
Completeness [%]	99.8	98	96.4
Redundancy	8.8	7.9	8.5
CC(1/2)	0.999	0.999	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	0.1 M MES/0.1 M Imidazole pH 6.5, 0.03 M CaCl2/ MgCl2, 5 mM L-Tyr, 8% glycerol, 5.5 % PEG 4000