4I4T

Crystal structure of tubulin-RB3-TTL-Zampanolide 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	2012-01-29
Detector	PSI PILATUS 6M
Wavelength(s)	0.99995
Spacegroup name	P 21 21 21
Unit cell lengths	104.770, 158.640, 179.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.320 - 1.800
R-factor	0.1728
Rwork	0.171
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ryc 3tin
RMSD bond length	0.008
RMSD bond angle	1.179
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]	79.400	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.103
Number of reflections	274535
<I/σ(I)>	13.35	1
Completeness [%]		99
Redundancy	13.5	13.1

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