9T62

Crystal structure of ortho-aminophenol oxidase SmNspF from Streptomyces murayamaensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	12.812 keV
Spacegroup name	P 3
Unit cell lengths	86.189, 86.189, 88.245
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.640 - 2.400
Rwork	0.183
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.969
Data reduction software	autoPROC (20240123)
Data scaling software	Aimless (0.7.15)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0431 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.640	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	52735	3556
<I/σ(I)>	2.4
Completeness [%]	99.1
Redundancy	3.7
CC(1/2)	0.919	0.059

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	Mixing 5 microliter of SmNspF solution (10 mg/ml) with 4 microliter of reservoir solution (8% PEG 8000, and 800.0 mM Lithiumsulfate , 20.0 mM TRIS, 16.1 mM HCl)