8YTX

Tubulin-RB3-TTL in complex with compound SI9

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	105.370, 158.307, 180.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.560 - 2.530
R-factor	0.2233
Rwork	0.222
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d88
RMSD bond angle	16.521
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21_5207: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.020	2.670
High resolution limit [Å]	2.530	2.530
Number of reflections	100212	14523
<I/σ(I)>	13
Completeness [%]	98.9
Redundancy	7.5
CC(1/2)	0.998	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	6% PEG 4000, 5% Glycerol, 0.1 M MES, 30 mM CaCl2, 30 mM MgCl2