4N82

X-ray crystal structure of Streptococcus sanguinis NrdIox

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-19
Detector	MARRESEARCH
Wavelength(s)	1.078
Spacegroup name	C 1 2 1
Unit cell lengths	104.726, 56.612, 73.387
Unit cell angles	90.00, 106.13, 90.00

Refinement procedure

Resolution	47.690 - 1.880
R-factor	0.2083
Rwork	0.207
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rlj
RMSD bond length	0.005
RMSD bond angle	1.008
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.880
Number of reflections	33395

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	298	PEG 4000, ammonium sulfate, pH 5.6, vapor diffusion, sitting drop, temperature 298K