5BNB

Crystal structure of a Ube2S-ubiquitin conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 1 21 1
Unit cell lengths	94.906, 45.854, 110.576
Unit cell angles	90.00, 93.14, 90.00

Refinement procedure

Resolution	47.382 - 2.490
R-factor	0.2462
Rwork	0.243
R-free	0.30400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zdn
RMSD bond length	0.002
RMSD bond angle	0.629
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.380	2.590
High resolution limit [Å]	2.490	2.490
Rmerge	0.056
Number of reflections	32942
<I/σ(I)>	16.3	2.2
Completeness [%]	97.4	95.3
Redundancy	3.2	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M Tris, 20% PEG 4000