8R6O

Tubulin-4AZA2996 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	2014-12-15
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	105.327, 158.182, 182.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.200 - 2.200
R-factor	0.2093
Rwork	0.208
R-free	0.23300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4i4t
RMSD bond length	0.002
RMSD bond angle	0.464
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.200	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.098	2.133
Rmeas	0.117	2.537
Rpim	0.062	1.354
Number of reflections	287043	14872
<I/σ(I)>	10.56
Completeness [%]	99.3
Redundancy	3.4
CC(1/2)	0.998	0.178

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.7	293	4% PEG 4K, 10% glycerol, 30 mM MgCl2, 30 mM CaCl2, 0.1 M MES/Imidazole pH 6.7