7TXY

Crystal structure of the 2-Aminophenol 1,6-dioxygenase from the ARO bacterial microcompartment of Micromonospora rosaria

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-02
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	P 1
Unit cell lengths	68.800, 83.855, 110.272
Unit cell angles	85.59, 73.10, 89.26

Refinement procedure

Resolution	46.140 - 1.750
R-factor	0.1942
Rwork	0.194
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vsg
RMSD bond length	0.003
RMSD bond angle	0.597
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20rc1_4392)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.500	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.036	1.173
Rmeas	0.051	1.659
Number of reflections	230720	11288
<I/σ(I)>	15.1	0.8
Completeness [%]	97.3	95.7
Redundancy	3.5	3.6
CC(1/2)	0.998	0.421

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.4	293	28% PEG 8000, 400mM Ammonium acetate, 0.1M Tris pH 8.4