2BCP

Structural Analysis of Streptococcus pyogenes NADH oxidase: C44S Nox with Azide

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	71.320, 85.085, 148.456
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.1911
Rwork	0.191
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	NADH oxidase c44s pdb entry 2bc1
RMSD bond length	0.007
RMSD bond angle	1.260
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	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.062	0.241
Number of reflections	53579
<I/σ(I)>	23.59	3.92
Completeness [%]	97.8	85.8

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