10NH

Crystal Structure of Apurinic endonuclease (APN1) from Babesia bovis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1
Unit cell lengths	59.625, 93.089, 102.879
Unit cell angles	91.66, 91.18, 91.09

Refinement procedure

Resolution	46.520 - 2.650
R-factor	0.2083
Rwork	0.205
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.635
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5936: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.520	2.720
High resolution limit [Å]	2.650	2.650
Rmerge	0.096	0.706
Rmeas	0.114	0.830
Rpim	0.061	0.432
Total number of observations	218014	17068
Number of reflections	62383	4698
<I/σ(I)>	7.6	1.8
Completeness [%]	97.1
Redundancy	3.5	3.6
CC(1/2)	0.976	0.736

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Morpheous D1: 20%(v/v) PEG 500 MME, 10%(w/v) PEG 20000, 100 mM Imidazole/MES, pH 6.5, 20 mM 1,6-Hexanediol, 20 mM 1-Butanol, 20 mM 1,2-Propanediol, 20 mM 2-Propanol, 20 mM 1,4-Butanediol and 20 mM 1,3-Propanediol. BaboA.18322.a.B2.PW39407 at 19.1 mg/mL. 3 Zn ions per subunit. Positive density was observed between the Zn ions which were assigned as imidazole molecules from the crystallant. plate 19997 D1 drop 1, Puck: PSL-2115, Cryo: direct