9RUD

Crystal structure of UBE2J2 in complex with ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-06
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967697
Spacegroup name	P 1 21 1
Unit cell lengths	52.879, 46.201, 55.239
Unit cell angles	90.00, 98.20, 90.00

Refinement procedure

Resolution	52.340 - 2.320
R-factor	0.19359
Rwork	0.190
R-free	0.24729
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.826
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.340	2.400
High resolution limit [Å]	2.320	2.320
Rmerge	0.126	0.661
Rmeas	0.143	0.748
Rpim	0.067	0.343
Total number of observations	51820	5349
Number of reflections	11468	1137
<I/σ(I)>	10.5	2.7
Completeness [%]	98.9
Redundancy	4.5	4.7
CC(1/2)	0.993	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293.15	18% V/V 2-Propanol, 100mM sodium acetate trihydrate, 20% PEG4000