5K91

Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 in complex with fluoride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1
Unit cell lengths	51.146, 54.697, 94.266
Unit cell angles	99.06, 94.84, 99.04

Refinement procedure

Resolution	46.345 - 1.180
R-factor	0.1917
Rwork	0.190
R-free	0.22150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qpi
RMSD bond length	0.023
RMSD bond angle	2.111
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]	46.345	1.222
High resolution limit [Å]	1.180	1.180
Rmerge	0.061	1.187
Number of reflections	294532
<I/σ(I)>	6.71	0.98
Completeness [%]	90.0	87
Redundancy	3.7	3.6
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.15 M MgSO4, 0.1 M MES pH 6.5, 22% (w/v) PEG3350