7NCY

Dual specificity phosphatase from Sulfolobales Beppu filamentous virus 3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9783
Spacegroup name	P 31 2 1
Unit cell lengths	59.620, 59.620, 167.123
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.381 - 2.000
Rwork	0.176
R-free	0.21960
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.258
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.630	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.211	2.204
Rmeas	0.215	2.241
Rpim	0.039	0.402
Number of reflections	24113	1755
<I/σ(I)>	12.6
Completeness [%]	99.8	100
Redundancy	29.4	30.8
CC(1/2)	0.990	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.1M Bis-tris pH 5.5 23% PEG 3350 0.2M ammonium acetate 10 mM NiCl2