7OU7

Crystal structure of dimeric chlorite dismutase variant Q74V (CCld Q74V) 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 21 1
Unit cell lengths	54.954, 73.049, 59.973
Unit cell angles	90.00, 112.32, 90.00

Refinement procedure

Resolution	47.540 - 1.630
R-factor	0.1679
Rwork	0.168
R-free	0.18880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ati
RMSD bond length	0.006
RMSD bond angle	0.763
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]	47.540	1.480
High resolution limit [Å]	1.400	1.400
Number of reflections	52809	5233
<I/σ(I)>	7.96
Completeness [%]	76.2
Redundancy	1.29
CC(1/2)	0.999	0.174

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	20 %w/v PEG 8K, 0.1 M TRIS pH 8.5, 0.2 M MgCl2 Soaking: 100mM NaNO2