9X2H

AARS1 bound with XY353

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-01-14
Detector	RIGAKU HyPix-Arc 150
Wavelength(s)	1.54184
Spacegroup name	C 1 2 1
Unit cell lengths	112.148, 71.218, 77.038
Unit cell angles	90.00, 132.05, 90.00

Refinement procedure

Resolution	17.430 - 1.900
R-factor	0.2216
Rwork	0.219
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.014
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]	17.430	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.101	1.280
Number of reflections	35534	3542
<I/σ(I)>	12.9
Completeness [%]	99.4
Redundancy	6.9

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.