5O0T

CRYSTAL STRUCTURE OF TRANS-MEMBRANE DOMAIN OF Cylindrospermum stagnale NADPH-OXIDASE 5 (NOX5)

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	2016-10-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.99997
Spacegroup name	P 21 21 21
Unit cell lengths	52.371, 74.570, 85.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.600 - 2.050
R-factor	0.18696
Rwork	0.185
R-free	0.22094
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.660
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.600	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.065	0.597
Number of reflections	20900	1634
<I/σ(I)>	10.3	2.7
Completeness [%]	97.6	98.2
Redundancy	3.7	3.8
CC(1/2)	0.981	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.5	293	csTM was concentrated to 25 mg-ml and mixed with monoolein (1-oleoyl-rac-glycerol) in a 2:3 protein to lipid ratio using two coupled syringes (Hamilton) at 20 C. The in meso mix was dispensed manually using a Hamilton syringe coupled to a repetitive dispenser onto a sandwich plate in 120 nl bolus overlaid by 1 microl of precipitant solution. Crystals grew 30% PEG300, 100 mM Li2SO4, 100 mM MES-KOH pH 6.5