9R0Q

Paraoxonase-1 in complex with terbium(III) and 2-hydroxyquinoline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.30
Spacegroup name	P 43 21 2
Unit cell lengths	98.064, 98.064, 138.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.820 - 2.350
R-factor	0.192
Rwork	0.190
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.902
Data reduction software	XDS (20250119)
Data scaling software	Aimless (0.8.2)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.820	2.400
High resolution limit [Å]	2.350	2.350
Rpim	0.051	1.073
Number of reflections	28693	1428
<I/σ(I)>	13.8	1.2
Completeness [%]	100.0
Redundancy	24.8
CC(1/2)	1.000	0.410

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	294	16% (w/v) PEG 3350, 0.1 M Bis-Tris Propane, pH 6.50, 0.2 M NaBr