7VMJ

Crystal structure of tubulin with 17a

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	104.976, 157.934, 182.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	87.430 - 2.900
R-factor	0.2002
Rwork	0.199
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.170	91.170	2.970
High resolution limit [Å]	2.900	13.600	2.900
Rmerge	0.245	0.089	2.049
Rmeas	0.266	0.099	2.219
Rpim	0.102	0.041	0.846
Total number of observations	452530	3797	30619
Number of reflections	67923	760	4490
<I/σ(I)>	5.8	7.8	1.6
Completeness [%]	100.0	98.6	100
Redundancy	6.7	5	6.8
CC(1/2)	0.984	0.988	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	6% polyethylene glycol 4000, 8% glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2, pH 6.7