7TTF

Tubulin-RB3_SLD in complex with compound 12k

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	65.695, 126.407, 250.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.550 - 2.100
R-factor	0.1957
Rwork	0.194
R-free	0.23810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xes
RMSD bond length	0.007
RMSD bond angle	0.878
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.510	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.102	1.547
Rmeas	0.111
Rpim	0.043	0.675
Number of reflections	122453	6011
<I/σ(I)>	13.4	1.3
Completeness [%]	100.0	99.9
Redundancy	6.6
CC(1/2)	0.999	0.645

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