8CAL

Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M34

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999998
Spacegroup name	P 3 2 1
Unit cell lengths	127.241, 127.241, 71.888
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.690 - 2.410
R-factor	0.2095
Rwork	0.208
R-free	0.24040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.990
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.690	47.640	2.500
High resolution limit [Å]	2.410	9.010	2.410
Rmerge	0.137	0.031	2.681
Rmeas	0.141	0.032	2.752
Rpim	0.031	0.007	0.615
Total number of observations		10770	52634
Number of reflections	26237	553	2695
<I/σ(I)>	17	74	1.4
Completeness [%]	99.9	99.4	99.4
Redundancy	20.5	19.5	19.5
CC(1/2)	0.999	1.000	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	293	0.3 M diethylene glycol; 0.3 M triethylene glycol, 0.3 M tetraethylene glycol, 0.3 M pentaethylene glycol, Tris-HCl 0.1 M pH 8.0, 20% (v/v) ethylene glycol, 10% (w/v) PEG8000