5IXR

Crystal Structure of C139A nostoc H-NOX domain with imidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 21 3
Unit cell lengths	123.051, 123.051, 123.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.510 - 2.500
R-factor	0.13282
Rwork	0.131
R-free	0.17353
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4iam
RMSD bond length	0.013
RMSD bond angle	1.718
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.510	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	20550
<I/σ(I)>	24.2	2.3
Completeness [%]	99.5	100
Redundancy	6.2	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	1.9M sodium malonate, pH 7.0,