7OWI

Crystal structure of dimeric chlorite dismutase variant R127A (CCld R127A) 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	2019-10-07
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	54.447, 72.675, 112.120
Unit cell angles	90.00, 94.83, 90.00

Refinement procedure

Resolution	44.290 - 1.700
R-factor	0.1736
Rwork	0.173
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mau
RMSD bond length	0.008
RMSD bond angle	0.842
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]	44.290	1.761
High resolution limit [Å]	1.700	1.700
Number of reflections	95807	9516
<I/σ(I)>	14.74
Completeness [%]	99.8
Redundancy	6.8
CC(1/2)	0.999	0.564

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1 M TRIS pH 8, 20 %w/v PEG 6K, 0.2 M MgCl2, MPD (Cryoprotectant)