7LZ8

Tubulin-RB3_SLD-TTL in complex with compound 5t

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	104.570, 155.041, 182.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.360 - 2.920
R-factor	0.1858
Rwork	0.184
R-free	0.22760
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6br1
RMSD bond length	0.003
RMSD bond angle	0.617
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	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.085	0.869
Rpim	0.048	0.506
Number of reflections	64109	6296
<I/σ(I)>	16.2	1.1
Completeness [%]	98.7	98.7
Redundancy	4.2	4.2
CC(1/2)	0.994	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	293	PEG 4000, MES, glycerol, CaCl2, MgCl2, ethyl acetate