9GTJ

Chlorite dismutase from Pseudomonas sp.

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	2022-05-03
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.7749
Spacegroup name	C 1 2 1
Unit cell lengths	127.460, 45.971, 90.156
Unit cell angles	90.00, 129.30, 90.00

Refinement procedure

Resolution	49.320 - 0.990
R-factor	0.14365
Rwork	0.143
R-free	0.16067
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.727
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.320	1.020
High resolution limit [Å]	0.990	0.990
Rmerge	0.046	2.346
Rmeas	0.050	2.532
Rpim	0.019	0.944
Total number of observations	1488111	141992
Number of reflections	217930	20381
<I/σ(I)>	14.8	0.8
Completeness [%]	97.2
Redundancy	6.8	7
CC(1/2)	0.999	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.2M Ammonium citrate dibasic; 20% w/v PEG 3350