8CGS

Crystal structure of arsenite oxidase from Alcaligenes faecalis (Af Aio) bound to antimony oxyanion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.918
Spacegroup name	P 1
Unit cell lengths	90.378, 109.210, 117.342
Unit cell angles	97.71, 90.06, 96.28

Refinement procedure

Resolution	116.270 - 1.840
R-factor	0.15536
Rwork	0.154
R-free	0.18891
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.954
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.470	1.870
High resolution limit [Å]	1.840	1.840
Number of reflections	365490	17998
<I/σ(I)>	4.2
Completeness [%]	95.3
Redundancy	2
CC(1/2)	0.993	0.848

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	15% v/v PEG 4000, 0.1 M sodium citrate pH 5.5 and 0.2 M ammonium acetate