8R3A

NT-26 Arsenite oxidase B F108C-G123C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000020
Spacegroup name	P 2 21 21
Unit cell lengths	141.607, 148.928, 231.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.320 - 1.894
Rwork	0.152
R-free	0.18540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.046
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.320	2.010
High resolution limit [Å]	1.890	1.890
Number of reflections	384388	60388
<I/σ(I)>	13.98
Completeness [%]	99.4
Redundancy	2
CC(1/2)	0.998	0.636

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2M ammonium sulphate, 0.1 M Hepes pH 7.5 and 2% (v/v) polyethylene glycol (PEG) 400