5V5G

OTU protease of Crimean Congo Hemorrhagic Fever Virus bound to ubiquitin variant CC.4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-03
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	64.312, 64.312, 277.578
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.170 - 2.100
R-factor	0.1775
Rwork	0.174
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pt2
RMSD bond length	0.010
RMSD bond angle	1.040
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2328: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.170	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	0.927
Number of reflections	34979
<I/σ(I)>	12.2	2.2
Completeness [%]	99.5	99.8
Redundancy	6	6
CC(1/2)	0.998	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	25% (w/v) PEG3350, 0.1 M Tris pH 7.0, 0.2 M sodium chloride and Silver Bullet formulation #G1 (0.16% (w/v) each of 5-Sulfosalicylic acid dehydrate, dodecanedioic acid, hippuric acid, mellitic acid, oxalacetic acid, suberic acid and 0.02 M HEPES sodium pH 6.8)