7ATI

Crystal structure of dimeric chlorite dismutase variant Q74V (CCld Q74V) from Cyanothece sp. PCC7425

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976252
Spacegroup name	P 1 21 1
Unit cell lengths	55.014, 72.676, 60.169
Unit cell angles	90.00, 112.73, 90.00

Refinement procedure

Resolution	36.340 - 1.510
R-factor	0.1754
Rwork	0.175
R-free	0.19260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mau
RMSD bond length	0.018
RMSD bond angle	1.726
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_3885)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.340	1.564
High resolution limit [Å]	1.510	1.510
Rmerge	0.093
Rmeas	0.101
Number of reflections	68450	6796
<I/σ(I)>	11.45
Completeness [%]	98.3
Redundancy	6.7
CC(1/2)	0.999	0.169

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	0.1 M TRIS, pH 8.5, 0.2 M MgCl2, 20 w/v % PEG 8000