7OU5

Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with nitrite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-05
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1
Unit cell lengths	51.749, 52.759, 54.684
Unit cell angles	107.14, 98.83, 109.56

Refinement procedure

Resolution	33.940 - 1.900
R-factor	0.1822
Rwork	0.181
R-free	0.21060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mau
RMSD bond length	0.011
RMSD bond angle	0.955
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.150	1.930
High resolution limit [Å]	1.820	1.820
Number of reflections	80245	3670
<I/σ(I)>	5.55
Completeness [%]	92.2
Redundancy	1.92
CC(1/2)	0.992	0.597

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1 M MES pH 6.5, 0.15 M MgSO4, 24 %w/v PEG 3350, 1 %v/v Glycerol Soaking: 50mM NaNO2