6X1E

Tubulin-RB3_SLD-TTL in complex with compound 5l

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	2018-12-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	105.360, 157.742, 182.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.910 - 2.900
R-factor	0.1717
Rwork	0.170
R-free	0.22420
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6br1
RMSD bond length	0.003
RMSD bond angle	0.545
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.177	1.137
Rpim	0.050	0.317
Number of reflections	67407	3331
<I/σ(I)>	15.7	3
Completeness [%]	100.0	99.8
Redundancy	13.3	13.6
CC(1/2)	0.996	0.804

Crystallization Conditions

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