8CCQ

Crystal structure of arsenite oxidase from Pseudorhizobium banfieldiae str. NT-26 (NT-26 Aio) bound to antimony trioxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-27
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.978
Spacegroup name	P 2 21 21
Unit cell lengths	141.533, 148.395, 232.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	141.530 - 1.890
R-factor	0.15715
Rwork	0.155
R-free	0.20039
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.090
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.300	1.980
High resolution limit [Å]	1.890	1.890
Number of reflections	354714	17429
<I/σ(I)>	13.1
Completeness [%]	100.0
Redundancy	13.8
CC(1/2)	0.997	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	2 M ammonium sulphate, 0.1 M HEPES sodium salt pH 7.5 and 2% v/v PEG 400