8P5N

Arsenate reductase (ArsC2) from Deinococcus indicus, co-crystallized with arsenate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	43.513, 39.822, 72.194
Unit cell angles	90.00, 97.08, 90.00

Refinement procedure

Resolution	19.910 - 1.500
R-factor	0.1534
Rwork	0.152
R-free	0.17160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.670
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.910	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.046	0.511
Rmeas	0.056	0.620
Rpim	0.031	0.347
Number of reflections	35509	1775
<I/σ(I)>	10.6	1.5
Completeness [%]	89.7	41.3
Redundancy	3.1	3
CC(1/2)	0.999	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.2 M Sodium acetate trihydrate, 0.1 M Tris pH 8.5, 30 % (w/v) PEG 4000, 0.1 M Dibasic Heptahydratesodium Arsenate.