6F7C

TUBULIN-Compound 12 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	2017-07-10
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.00004
Spacegroup name	P 21 21 21
Unit cell lengths	104.810, 157.900, 180.770
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.542 - 2.002
R-factor	0.2133
Rwork	0.212
R-free	0.24310
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5lxt
RMSD bond length	0.006
RMSD bond angle	0.773
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2863: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.105	3.984
Rmeas	0.109	4.131
Number of reflections	199860	14518
<I/σ(I)>	17.81	0.73
Completeness [%]	99.8	98.7
Redundancy	13.5	13.2
CC(1/2)	0.999	0.254

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293	5% PEG 4K, 16% GLYCEROL, 30 MM MAGNESIUM CHLORIDE, 30 MM CALCIUM CHLORIDE, 0.1M MES/0.1M IMIDAZOLE