8A9Z

Tubulin-[1,2]oxazoloisoindole-2e 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	104.500, 155.847, 178.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.887 - 2.294
R-factor	0.21
Rwork	0.199
R-free	0.23960
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]	49.887	49.887	2.430
High resolution limit [Å]	2.290	6.830	2.290
Rmerge	0.225	0.034	3.704
Rmeas	0.243	0.036	3.998
Total number of observations	1770704
Number of reflections	252262	9574	40564
<I/σ(I)>	8.45	49.32	0.49
Completeness [%]	99.9	99.7	99.3
Redundancy	7.019	7.535	7.037
CC(1/2)	0.996	1.000	0.126

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