5DFL

Crystal structure of Ube2K~Ubiquitin 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	2014-08-24
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	146.324, 37.557, 61.001
Unit cell angles	90.00, 90.43, 90.00

Refinement procedure

Resolution	47.020 - 2.100
R-factor	0.1972
Rwork	0.195
R-free	0.23480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1UBQ and 1YLA
RMSD bond length	0.010
RMSD bond angle	1.319
Data reduction software	XDS
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.020	47.020	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.173	0.031	1.692
Rpim	0.067	0.013	0.652
Total number of observations	146692	1756	11885
Number of reflections	19503
<I/σ(I)>	10.8	44.8	1.5
Completeness [%]	99.2	99.2	98.3
Redundancy	7.5	6.1	7.7
CC(1/2)	0.997	0.999	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M di-ammonium citrate pH 5.0, 20% PEG 3350