6O61

Tubulin-RB3_SLD-TTL in complex with compound ABI-231

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	105.257, 157.092, 184.039
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.163 - 2.599
R-factor	0.2061
Rwork	0.204
R-free	0.24350
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	2.660
High resolution limit [Å]	2.599	6.410	2.600
Rmerge	0.107	0.048	0.894
Rmeas	0.116	0.053	0.965
Rpim	0.044	0.020	0.361
Number of reflections	93639	6538	6188
<I/σ(I)>	4.2
Completeness [%]	99.2	98	99.5
Redundancy	6.8	6.5	6.9
CC(1/2)		0.997	0.708

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