6S96

Crystal structure of the catalytic domain of UBE2S C118A.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033
Spacegroup name	P 61
Unit cell lengths	120.927, 120.927, 45.344
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.910 - 2.180
R-factor	0.2059
Rwork	0.204
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zdn
RMSD bond length	0.014
RMSD bond angle	1.206
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.910	2.258
High resolution limit [Å]	2.180	2.180
Rmerge	0.044	0.408
Rmeas	0.062	0.577
Rpim	0.044	0.408
Number of reflections	19810	1898
<I/σ(I)>	8.58	1.54
Completeness [%]	98.8	95.14
Redundancy	2	2
CC(1/2)	0.997	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	293.15	2.5 M potassium formate, 0.1 M sodium cacodylate