8T0S

Crystal structure of UBE2G2 adduct with phenethyl isothiocyanate (PEITC) at the Cys48 position

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-17
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	47.894, 59.345, 67.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.700 - 1.950
R-factor	0.1763
Rwork	0.174
R-free	0.20820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.101	0.080	0.880
Rmeas	0.109	0.087	0.952
Rpim	0.041	0.033	0.357
Total number of observations	106223
Number of reflections	14738	1586	1461
<I/σ(I)>	12.5
Completeness [%]	99.9	99	99.9
Redundancy	7.2	6.8	7.1
CC(1/2)	0.997	0.993	0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG MME 5000, NaCl, etc.