7TTE

Tubulin-RB3_SLD in complex with compound 12j

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	66.062, 127.425, 251.622
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.120 - 2.700
R-factor	0.1738
Rwork	0.171
R-free	0.23950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xes
RMSD bond length	0.008
RMSD bond angle	0.942
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	2.770
High resolution limit [Å]	2.700	2.700
Rmerge	0.125	1.399
Rmeas	0.127
Rpim	0.025	0.282
Number of reflections	56674	3831
<I/σ(I)>	32.6
Completeness [%]	95.5	91.5
Redundancy	24.3	20
CC(1/2)	0.994	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293	0.2M ammonium sulfate, 0.1 M tri-sodium citrate, pH 5.6, 14 % PEG 4K