6YGF

NADase from Aspergillus fumigatus with trapped reaction products

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	2018-10-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.03320
Spacegroup name	P 32 2 1
Unit cell lengths	63.815, 63.815, 257.723
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	85.900 - 1.700
R-factor	0.1708
Rwork	0.169
R-free	0.20130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292105770
RMSD bond length	0.007
RMSD bond angle	0.880
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.900	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.025	0.644
Number of reflections	68236	6579
<I/σ(I)>	15.17	1.04
Completeness [%]	99.7
Redundancy	2
CC(1/2)	0.999	0.477

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.04 M Potassium phosphate monobasic, 16% PEG 8000 and 20% glycerol