4IAM

Crystal Structure of the C139A mutant of nostoc H-NOX domain

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	2012-02-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97945
Spacegroup name	P 21 3
Unit cell lengths	122.626, 122.626, 122.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.700 - 1.990
R-factor	0.12733
Rwork	0.126
R-free	0.15945
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o09
RMSD bond length	0.019
RMSD bond angle	1.786
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.700	2.080
High resolution limit [Å]	1.990	1.990
Number of reflections	39902
<I/σ(I)>	22.6
Completeness [%]	99.3	97.9
Redundancy	7.2

Crystallization Conditions

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