4I50

Crystal structure of tubulin-stathmin-TTL-Epothilone A complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00001
Spacegroup name	P 21 21 21
Unit cell lengths	103.620, 155.130, 180.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	77.565 - 2.300
R-factor	0.1935
Rwork	0.191
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ryc 3tin
RMSD bond length	0.005
RMSD bond angle	0.943
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.600	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.133
Number of reflections	129393
<I/σ(I)>	13.8	1.17
Completeness [%]	99.9	100
Redundancy	13.6	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	3% PEG 4000, 4-6% glycerol, 30 mM magnesium chloride, 30 mM calcium chloride, 100 mM MES/Imidazole, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K