7VMG

Crystal structure of tubulin with 17j

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-23
Detector	PSI PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	105.330, 158.210, 182.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.240 - 2.390
R-factor	0.2111
Rwork	0.210
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	119.540	119.540	2.430
High resolution limit [Å]	2.390	13.090	2.390
Rmerge	0.055	0.031	0.836
Rmeas	0.060	0.036	0.903
Rpim	0.023	0.018	0.338
Total number of observations	809860	3885	41077
Number of reflections	120979	830	5905
<I/σ(I)>	21	44.7	2.3
Completeness [%]	99.9	97.6	100
Redundancy	6.7	4.7	7
CC(1/2)	0.999	0.991	0.780

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	3% PEG 4000, 4-6% glycerol, 30 mM magnesium chloride, 30 mM calcium chloride, 100 mM MES/Imidazole , pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K