5K8Z

Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 8.5)

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	2015-09-24
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8726
Spacegroup name	P 1 21 1
Unit cell lengths	54.858, 72.833, 112.494
Unit cell angles	90.00, 94.57, 90.00

Refinement procedure

Resolution	44.428 - 1.550
R-factor	0.1984
Rwork	0.198
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qpi
RMSD bond length	0.005
RMSD bond angle	0.726
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (dev_2712)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.428	1.605
High resolution limit [Å]	1.550	1.550
Rmerge	0.148	1.210
Number of reflections	127776
<I/σ(I)>	6.24	0.89
Completeness [%]	100.0	100
Redundancy	4.3	3.9
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	0.2 M MgCl2, 0.1 M Tris pH 8.5, 20% (w/v) PEG4000