6W9S

Crystal structure of an OTU deubiquitinase from Escherichia albertii bound to ubiquitin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 41 2 2
Unit cell lengths	67.336, 67.336, 144.427
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.340 - 2.100
R-factor	0.2171
Rwork	0.215
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Mustang-MR sieved model
Data reduction software	DIALS
Data scaling software	Aimless (0.5.1)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.340	67.340	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.035	0.018	1.004
Rmeas	0.040	0.022	1.139
Rpim	0.019	0.012	0.528
Total number of observations	83869	1202	7058
Number of reflections	20125	339	1608
<I/σ(I)>	14.5	48.8	1.5
Completeness [%]	99.5	98.9	99.6
Redundancy	4.2	3.5	4.4
CC(1/2)	0.994	0.986	0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.8 M sodium formate, 10% PEG 8K, 10% PEG 1K, 0.1 M sodium acetate pH 4.5