8ED5

Crystal structure of loop deletion AioX mutant from Pseudorhizobium sp. str. NT-26

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	2022-04-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953
Spacegroup name	P 43 21 2
Unit cell lengths	125.155, 125.155, 47.415
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.380 - 1.790
R-factor	0.18527
Rwork	0.185
R-free	0.19787
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6esk
RMSD bond length	0.004
RMSD bond angle	1.281
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.400	1.830
High resolution limit [Å]	1.790	1.790
Number of reflections	35865	1979
<I/σ(I)>	17.9
Completeness [%]	99.6
Redundancy	26.4
CC(1/2)	0.999	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% (w/v) PEG 3350,0.2 M sodium malonate, 0.1 M Bis-Tris propane pH 6.5