2BC1

Structural Analysis of Streptococcus pyogenes NADH oxidase: C44S Nox

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	100
Detector technology	DIFFRACTOMETER
Detector	WEISSENBERG
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	70.614, 85.307, 148.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.150
R-factor	0.199
Rwork	0.198
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1JOA (NADH peroxidase poly-alanine)
RMSD bond length	0.007
RMSD bond angle	1.280
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.047	0.128
Number of reflections	49891
<I/σ(I)>	17.8	8.3
Completeness [%]	91.5	78.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	Ammonium sulfate, Na-K tartrate, Na citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K