6S98

Crystal structure of the catalytic domain of UBE2S WT.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.968
Spacegroup name	P 1 21 1
Unit cell lengths	44.812, 49.050, 71.926
Unit cell angles	90.00, 106.03, 90.00

Refinement procedure

Resolution	42.150 - 1.550
R-factor	0.1626
Rwork	0.161
R-free	0.18390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zdn
RMSD bond length	0.013
RMSD bond angle	1.341
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]	42.150	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.025	0.430
Rmeas	0.036	0.608
Rpim	0.025	0.430
Number of reflections	43484	4292
<I/σ(I)>	14.5	2.02
Completeness [%]	99.4	98.89
Redundancy	1.8
CC(1/2)	0.999	0.638

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	0.2 M sodium-acetate-trihydrate; 0.1 M Tris; 30% PEG4000