9R6V

Crystal structure of the DOC domain of the E3 ligase HECTD3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-01
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 21 21 21
Unit cell lengths	47.822, 52.640, 115.159
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.850 - 1.610
R-factor	0.196
Rwork	0.195
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.766
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.850	1.650
High resolution limit [Å]	1.610	1.610
Number of reflections	40411	2852
<I/σ(I)>	11.7
Completeness [%]	99.2
Redundancy	6.7
CC(1/2)	0.998	0.455

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	HECTD3 DOC domain is in 50 mM HEPES pH 7.5, 150 mM NaCl, 0.5 mM TCEP at a concentration of 13.5 mg/ml. Crystals grew from a 100 nL protein solution plus 100 nL reservoir made of 0.1 M HEPES pH 7.5, 30% (w/v) PEG 400, 5% PEG 3000 and 10% glycerol.