9X2K

AARS1 bound with XY353 and Gly-SA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	C 1 2 1
Unit cell lengths	108.686, 67.105, 75.468
Unit cell angles	90.00, 127.63, 90.00

Refinement procedure

Resolution	59.770 - 1.710
R-factor	0.1923
Rwork	0.191
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.036
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.770	1.770
High resolution limit [Å]	1.710	1.710
Rmerge	0.059	0.956
Number of reflections	42972	3907
<I/σ(I)>	21.36
Completeness [%]	90.4
Redundancy	6.7

Crystallization Conditions

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