7VMK

Crystal structure of tubulin with 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-27
Detector	PSI PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	104.831, 157.513, 182.187
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.730 - 2.500
R-factor	0.1948
Rwork	0.194
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i55
Data reduction software	XDS
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.165	0.040	1.365
Rmeas	0.172	0.042	1.437
Rpim	0.048	0.012	0.442
Total number of observations	1325667
Number of reflections	104668	5573	5161
<I/σ(I)>	4
Completeness [%]	100.0	99.9	99.8
Redundancy	12.7	12.5	9.8
CC(1/2)		0.999	0.661

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