5MAU

Crystal structure of dimeric chlorite dismutase from Cyanothece sp. PCC7425 (pH 6.5)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	51.120, 52.650, 54.730
Unit cell angles	107.22, 99.22, 108.90

Refinement procedure

Resolution	46.380 - 1.300
R-factor	0.148
Rwork	0.147
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qpi
RMSD bond length	0.017
RMSD bond angle	1.481
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (DEV_2712)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.381	1.346
High resolution limit [Å]	1.300	1.300
Rmerge	0.080	2.070
Number of reflections	115659
<I/σ(I)>	10.55	0.99
Completeness [%]	95.0	91.81
Redundancy	6.8	7
CC(1/2)	0.998	0.399

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, 25 % (w/v) PEG 3350