7OU9

Crystal structure of dimeric chlorite dismutase variant Q74E (CCld Q74E) from Cyanothece sp. PCC7425 in complex with nitrite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9724
Spacegroup name	P 1
Unit cell lengths	52.697, 52.684, 54.990
Unit cell angles	98.77, 107.11, 109.95

Refinement procedure

Resolution	45.970 - 2.420
R-factor	0.1843
Rwork	0.181
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7asb
RMSD bond length	0.003
RMSD bond angle	0.534
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.970	2.460
High resolution limit [Å]	2.420	2.420
Number of reflections	18662	932
<I/σ(I)>	3.9
Completeness [%]	96.3
Redundancy	1.7
CC(1/2)	0.966	0.928

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, 23 %w/v PEG 3350, 2 %v/v Glycerol Soaking: 100 mM NaNO2