8QQ5

Structure of WT SpNox DH domain: a bacterial NADPH oxidase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-10
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 41 21 2
Unit cell lengths	104.880, 104.880, 139.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 2.500
R-factor	0.2014
Rwork	0.197
R-free	0.28960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.456
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.900	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	26155	2978
<I/σ(I)>	18.99
Completeness [%]	100.0
Redundancy	25.96
CC(1/2)	0.999	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Protein: 15 mg/ml in 100 mM bis-TRIS propane pH 6.5, 300 mM NaCl, 5% glycerol, 0.01 mM FAD. Crystallization condition: 35% PEG MME 500 and 0.1 M sodium citrate pH5. Drop: 100 nL of protein +100 nL of well.