6X1F

Tubulin-RB3_SLD-TTL in complex with compound 5m

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	2019-07-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	105.480, 157.923, 182.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.240 - 2.700
R-factor	0.1915
Rwork	0.190
R-free	0.24080
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6br1
RMSD bond length	0.002
RMSD bond angle	0.532
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	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.106
Rpim	0.045
Number of reflections	84115	4130
<I/σ(I)>	17.5	2
Completeness [%]	99.9	100
Redundancy	6.8	7
CC(1/2)	0.990	0.592

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