8PMS

NADase from Aspergillus fumigatus with replaced C-terminus from Neurospora crassa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.03321
Spacegroup name	P 41 21 2
Unit cell lengths	101.018, 101.018, 366.335
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.670 - 2.400
R-factor	0.2046
Rwork	0.204
R-free	0.22420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.410
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.670	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.082	2.137
Rpim	0.030	0.732
Number of reflections	75255	7381
<I/σ(I)>	14.38
Completeness [%]	99.8
Redundancy	14.38
CC(1/2)	0.999	0.456

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	293	MgCl2, HEPES and Polyacrylic acid 5100