7TTD

Tubulin-RB3_SLD in complex with compound 12e

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	2021-02-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	65.795, 127.211, 250.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.960 - 2.270
R-factor	0.1745
Rwork	0.173
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xes
RMSD bond length	0.007
RMSD bond angle	0.890
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	2.320
High resolution limit [Å]	2.260	2.260
Rmerge	0.075	0.552
Rmeas	0.084	0.617
Rpim	0.036	0.270
Number of reflections	95503	6134
<I/σ(I)>	21.3	1.97
Completeness [%]	98.3	89.4
Redundancy	5	4.6
CC(1/2)	0.997	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, 12 ~14 % PEG 4K