9X2I

AARS1 bound with XY353-1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	113.282, 71.953, 77.663
Unit cell angles	90.00, 131.93, 90.00

Refinement procedure

Resolution	26.620 - 1.860
R-factor	0.1989
Rwork	0.197
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.998
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASES
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.620	1.932
High resolution limit [Å]	1.860	1.860
Rmerge	0.138	0.772
Number of reflections	36044	2052
<I/σ(I)>	5.2
Completeness [%]	96.3
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium acetate trihydrate, 0.1 M Tris-HCl (pH 8.5), and 30% (w/v) polyethylene glycol 4,000.