8A9T

Tubulin-[1,2]oxazoloisoindole-1 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	2020-11-26
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.999999
Spacegroup name	P 21 21 21
Unit cell lengths	105.212, 158.054, 180.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.910 - 2.304
R-factor	0.1963
Rwork	0.194
R-free	0.23660
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5lxt
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.632	49.632	2.440
High resolution limit [Å]	2.300	6.850	2.300
Rmerge	0.188	0.032	3.245
Rmeas	0.203	0.035	3.523
Total number of observations	1798313
Number of reflections	257119	9762	41489
<I/σ(I)>	9.34	51.38	0.53
Completeness [%]	99.9	99.7	99.7
Redundancy	6.994	7.459	6.566
CC(1/2)	0.997	0.999	0.139

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	4% PEG 4K, 8% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole, 5 mM L-tyrosine