7OUA

Crystal structure of dimeric chlorite dismutase variant R127K (CCld R127K) from Cyanothece sp. PCC7425

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-01
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	48.712, 49.607, 54.579
Unit cell angles	102.48, 104.84, 105.00

Refinement procedure

Resolution	44.400 - 2.090
R-factor	0.2253
Rwork	0.222
R-free	0.27040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mau
RMSD bond length	0.005
RMSD bond angle	0.847
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]	50.290	2.110
High resolution limit [Å]	2.070	2.070
Number of reflections	27118	1385
<I/σ(I)>	8.6
Completeness [%]	97.8
Redundancy	3.2
CC(1/2)	1.000	0.300

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, 30 %w/v PEG 3350, 4 %v/v Glycerol