6XL2

Structure of the arsenate-bound form of ArrX from Chrysiogenes arsenatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9536
Spacegroup name	P 21 21 21
Unit cell lengths	52.811, 53.453, 90.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.040 - 1.740
R-factor	0.1902
Rwork	0.188
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x6b
RMSD bond length	0.005
RMSD bond angle	1.276
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.040	1.770
High resolution limit [Å]	1.740	1.740
Number of reflections	27069	1435
<I/σ(I)>	14.5
Completeness [%]	99.9
Redundancy	6.7
CC(1/2)	0.999	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M lithium sulfate, 0.1 M Tris pH 8.5, 25% (w/v) PEG 3350 Soaked in:5 mM Na2HAsO4, 0.1 M Tris pH 8.5, 27% (w/v) PEG 3350, 25% (v/v) glycerol