5NCR

OH1 from the Orf virus: a tyrosine phosphatase that displays distinct structural features and triple substrate specificity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	80
Detector technology	CCD
Collection date	2015-09-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.89
Spacegroup name	P 1 21 1
Unit cell lengths	49.558, 63.554, 55.391
Unit cell angles	90.00, 97.07, 90.00

Refinement procedure

Resolution	17.730 - 1.890
R-factor	0.189
Rwork	0.187
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cm3
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.580	1.970
High resolution limit [Å]	1.880	1.880
Rmerge	0.141	0.141
Rmeas	0.170	2.627
Rpim	0.094	1.538
Total number of observations	84484
Number of reflections	26622
<I/σ(I)>	4.4
Completeness [%]	95.0	95
Redundancy	3.2	2.4
CC(1/2)	0.989	0.174

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	30% PEG MME 2K, Na-Acetate pH 4.6, 0.2M NH42SO4