5NG1

TUBULIN-MTC-zampanolide 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	2016-10-18
Detector	DECTRIS PILATUS 2
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	104.237, 157.418, 178.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.686 - 2.200
R-factor	0.1753
Rwork	0.173
R-free	0.21980
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4i4t
RMSD bond length	0.008
RMSD bond angle	0.957
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2420: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.690	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.107	2.047
Rpim	0.046	0.922
Number of reflections	149309	11007
<I/σ(I)>	13.4	0.9
Completeness [%]	100.0	99.8
Redundancy	6.7	6.5
CC(1/2)	0.999	0.291

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.7	293	5% PEG 4K, 12-14% glycerol, 30 mM MgCl2, 30 mM CaCl2, 100 mM MES/Imidazole, pH 6.7