8UXS

KLHDC2 ubiquitin ligase in complex with a novel small-molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-22
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	44.381, 88.165, 88.512
Unit cell angles	90.00, 104.39, 90.00

Refinement procedure

Resolution	44.080 - 2.000
R-factor	0.1671
Rwork	0.166
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.575
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.080	2.071
High resolution limit [Å]	1.440	1.440
Rmerge	0.064	0.178
Rmeas	0.076	0.211
Rpim	0.041	0.113
Number of reflections	85458	4409
<I/σ(I)>	2967.5	3.2
Completeness [%]	70.0	99.48
Redundancy	3.1	3.6
CC(1/2)		0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	0.03 M MgCl2*6H2O, 0.03 M CaCl2*2H2O, 10% (w/v) PEG 20000, 20% (v/v) PEG MME, 0.1 M Tris (base)/ bicine pH 8.5