9R9B

Crystal structure of clathrin heavy chain in complex with a peptidomimetic inhibitor of the TACC3 interaction

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-20
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.95373
Spacegroup name	P 61 2 2
Unit cell lengths	111.218, 111.218, 212.862
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	96.318 - 2.146
Rwork	0.204
R-free	0.26840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.284
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.318	2.419
High resolution limit [Å]	2.146	2.146
Number of reflections	24209	1210
<I/σ(I)>	23
Completeness [%]	96.1
Redundancy	39.5
CC(1/2)	0.984	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	291	20% w/v polyethylene glycol 3350 200 mM tri-potassium citrate