6YGE

NADase from Aspergillus fumigatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 32 2 1
Unit cell lengths	63.788, 63.788, 257.995
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	86.000 - 1.600
R-factor	0.1793
Rwork	0.178
R-free	0.21120
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	AutoSol
Refinement software	PHENIX (1.17.1-3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.000	1.657
High resolution limit [Å]	1.600	1.600
Rmerge	0.059	1.688
Number of reflections	75947	7267
<I/σ(I)>	16.49	0.71
Completeness [%]	92.8
Redundancy	8.9
CC(1/2)	0.990	0.386

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1 M sodium acetate, 0.3 M CaCl2 and 20-25% (w/v) PEG 8000