7LZ7

Tubulin-RB3_SLD-TTL in complex with compound 5k

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	105.211, 157.998, 182.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.880 - 2.800
R-factor	0.1723
Rwork	0.171
R-free	0.21110
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6br1
RMSD bond length	0.002
RMSD bond angle	0.554
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	2.850
High resolution limit [Å]	2.800	2.800
Rmerge	0.187	1.140
Rpim	0.053	0.339
Number of reflections	75636	3739
<I/σ(I)>	14.6	2.5
Completeness [%]	100.0	100
Redundancy	13.3	12.3
CC(1/2)	0.999	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	PEG 4000, glycerol, MES, CaCl2, MgCl2