6D88

Tubulin-RB3_SLD-TTL in complex with compound 13f

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	105.536, 157.894, 182.025
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.650 - 2.853
R-factor	0.1952
Rwork	0.192
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.920
High resolution limit [Å]	2.850	7.020	2.850
Rmerge	0.227	0.210	0.836
Rmeas	0.246	0.229	0.902
Rpim	0.095	0.089	0.338
Number of reflections	71390	5035	4711
<I/σ(I)>	4.6
Completeness [%]	100.0	99.6	100
Redundancy	6.8	6.5	7.1
CC(1/2)		0.918	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	6% PEG 4000, 5% Glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2