4YOF

DosS GAFA Domain Reduced Nitric Oxide Bound Crystal Structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.978550
Spacegroup name	P 21 21 21
Unit cell lengths	33.593, 78.847, 110.645
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.137 - 1.900
R-factor	0.1868
Rwork	0.185
R-free	0.22430
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008
RMSD bond angle	1.193
Data scaling software	XDS
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.900	1.900
Rmerge	0.053	0.620
Number of reflections	23788
<I/σ(I)>	16.7	2.5
Completeness [%]	99.1	98.8
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	16-20% (wt/vol) PEG 4000, 0.2M calcium acetate, 0.1M Tris-HCl