5ULF

Crystal Structure of a UbcH5b~Ub conjugate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-16
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	29.336, 61.356, 62.824
Unit cell angles	102.84, 91.66, 90.02

Refinement procedure

Resolution	48.518 - 1.800
R-factor	0.2291
Rwork	0.227
R-free	0.26120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.435
Data reduction software	XDS
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.520	48.520	1.840
High resolution limit [Å]	1.800	8.990	1.800
Rmerge	0.103	0.034	0.928
Rmeas	0.119	0.040	1.089
Rpim	0.060	0.021	0.566
Total number of observations	150520	1142	6832
Number of reflections	38416
<I/σ(I)>	10	34.8	1.5
Completeness [%]	96.8	98.1	80
Redundancy	3.9	3.6	3.6
CC(1/2)	0.997	0.997	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	100 mM bis-Tris pH 5.5, 150 mM ammonium sulfate, 20% PEG 3350