7AHF

Dimeric structure of the catalytic domain of the human ubiquitin-conjugating enzyme UBE2S L114E varaiant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	45.317, 48.411, 70.127
Unit cell angles	90.00, 107.07, 90.00

Refinement procedure

Resolution	43.320 - 2.150
R-factor	0.1936
Rwork	0.191
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zdn
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.322	2.283
High resolution limit [Å]	2.148	2.148
Rmerge	0.045	0.303
Rmeas	0.063	0.428
Rpim	0.045	0.303
Number of reflections	15974	1561
<I/σ(I)>	11.83	2.47
Completeness [%]	100.0	99.49
Redundancy	2
CC(1/2)	0.998	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.33 M magnesium formate dihydrate, 15% PEG 3350