7ASB

Crystal structure of dimeric chlorite dismutase variant Q74E (CCld Q74E) 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 PILATUS 6M
Wavelength(s)	0.976252
Spacegroup name	P 1
Unit cell lengths	51.160, 52.738, 54.772
Unit cell angles	107.41, 99.14, 108.98

Refinement procedure

Resolution	30.980 - 1.400
R-factor	0.1624
Rwork	0.162
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mau
RMSD bond length	0.018
RMSD bond angle	1.890
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]	30.980	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.067	1.195
Rmeas	0.079
Rpim	0.042	0.717
Number of reflections	90357	8896
<I/σ(I)>	10.09	1.14
Completeness [%]	92.5	91.39
Redundancy	3.6	3.7
CC(1/2)	0.998	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	0.1 M MES 6.5 pH, 0.15 M MgSO4, 28 % w/v PEG 3350, 3 % v/v Glycerol