6W9R

Crystal structure of an OTU deubiquitinase from Wolbachia pipientis wMel bound to ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96861
Spacegroup name	C 1 2 1
Unit cell lengths	136.925, 78.203, 280.425
Unit cell angles	90.00, 91.57, 90.00

Refinement procedure

Resolution	27.290 - 1.820
R-factor	0.1685
Rwork	0.166
R-free	0.20810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ubq 6w9o
Data reduction software	XDS (Jan 10, 2014)
Data scaling software	Aimless (0.2.8)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.290	27.290	1.880
High resolution limit [Å]	1.820	10.130	1.850
Rmerge	0.147	0.059	0.924
Rmeas	0.157	0.063	0.990
Rpim	0.056	0.022	0.354
Total number of observations		12120	93464
Number of reflections	247996	1561	12170
<I/σ(I)>	9.4	18.4	2.8
Completeness [%]	98.3	94.8	97.2
Redundancy	7.8	7.8	7.7
CC(1/2)	0.997	0.998	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	20% PEG 6K, 0.1 M citrate pH 4.6