6X9G

Structure of the malonate-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	2019-03-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 21 21 21
Unit cell lengths	52.406, 55.602, 91.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.508 - 1.680
Rwork	0.170
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x6b
RMSD bond length	0.005
RMSD bond angle	1.270
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]	47.510	1.710
High resolution limit [Å]	1.680	1.680
Number of reflections	31216	1496
<I/σ(I)>	15.6
Completeness [%]	99.8
Redundancy	6.7
CC(1/2)	0.999	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.7	293	0.1 M sodium malonate pH 6.7, 18% (w/v) PEG 3350