6XET

Tubulin-RB3_SLD in complex with compound 60c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2019-11-21
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	66.097, 126.938, 250.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.460 - 2.600
R-factor	0.1701
Rwork	0.168
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xiw
RMSD bond length	0.007
RMSD bond angle	0.928
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.660
High resolution limit [Å]	2.600	2.600
Rmerge	0.112	0.564
Rpim	0.051	0.268
Number of reflections	65688	3800
<I/σ(I)>	15.5	1.8
Completeness [%]	99.3	92.7
Redundancy	5.8	5.2
CC(1/2)	0.995	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	PEG 4000, ammonium sulfate, tri-sodium citrate