8R15

Crystal structure of Fusarium oxysporum NADase I

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	2023-03-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	83.060, 83.060, 57.964
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.130 - 2.400
R-factor	0.2008
Rwork	0.199
R-free	0.23740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.712
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21rc1_5109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.130	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.114	0.886
Rpim	0.050	0.403
Number of reflections	8352	561
<I/σ(I)>	12	1.91
Completeness [%]	90.0
Redundancy	6.8	6.2
CC(1/2)	0.997	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		281	polyethylene glycol (PEG) 1500, MIB buffer