6QHK

PAO-linked dimer of the catalytic domain of the human ubiquitin-conjugating enzyme UBE2S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-23
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.968
Spacegroup name	P 65
Unit cell lengths	83.150, 83.150, 83.125
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.417 - 1.960
R-factor	0.1909
Rwork	0.189
R-free	0.22310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zdn
RMSD bond length	0.003
RMSD bond angle	0.699
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.417	2.030
High resolution limit [Å]	1.960	1.960
Rmerge	0.023	0.281
Rmeas	0.033	0.397
Rpim	0.023	0.281
Number of reflections	23393	2317
<I/σ(I)>	20.05	2.64
Completeness [%]	99.7	99.44
Redundancy	2	2
CC(1/2)	0.999	0.787

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	1 mM TCEP, 11.74 mg/ml PAO, 0.2 M magnesium chloride, 0.1 M Tris pH 8.5, 30% PEG 4000