6O5N

Tubulin-RB3_SLD-TTL in complex with compound 10ab

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	105.301, 157.764, 182.084
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.784 - 3.003
R-factor	0.2046
Rwork	0.202
R-free	0.24520
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	3.070
High resolution limit [Å]	3.000	7.390	3.000
Rmerge	0.138	0.060
Rmeas	0.150	0.066
Rpim	0.060	0.026	0.480
Total number of observations	412131
Number of reflections	61186	4362	4003
<I/σ(I)>	3.7
Completeness [%]	99.9	99.7	100
Redundancy	6.7	6.3	6.8
CC(1/2)		0.996	0.595

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