7OUY

Crystal structure of dimeric chlorite dismutase variant R127A (CCld R127A) from Cyanothece sp. PCC7425 in complex with nitrite

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-18
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.8731
Spacegroup name	P 1
Unit cell lengths	52.250, 54.960, 93.895
Unit cell angles	99.51, 94.81, 98.38

Refinement procedure

Resolution	30.440 - 1.500
R-factor	0.2493
Rwork	0.249
R-free	0.27460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mau
RMSD bond length	0.007
RMSD bond angle	0.747
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]	47.100	1.554
High resolution limit [Å]	1.500	1.500
Number of reflections	151776	13190
<I/σ(I)>	4.04
Completeness [%]	90.8
Redundancy	3.3
CC(1/2)	0.996	0.206

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, 5 %v/v Glycerol Soaking: 50mM NaNO2