9Z2Y

Crystal structure of Glutamate-tRNA synthetase GluRS from Chlamydia pneumoniae in complex with ATP

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	2025-09-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	49.946, 132.078, 92.340
Unit cell angles	90.00, 104.23, 90.00

Refinement procedure

Resolution	48.410 - 2.650
R-factor	0.2137
Rwork	0.211
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.711
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.0_5765)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.410	2.720
High resolution limit [Å]	2.650	2.650
Rmerge	0.171	1.346
Rmeas	0.185	1.448
Rpim	0.070	0.531
Total number of observations	235246	18211
Number of reflections	33665	2478
<I/σ(I)>	10.4	1.6
Completeness [%]	99.8
Redundancy	7	7.3
CC(1/2)	0.996	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	JCSG+ H7: 0.20 M ammonium sulfate, 0.10 M Bis-Tris, pH 5.5, 25% PEG 3350. ChpnA.01348.a.UX11.PS38780 at 8 mg/mL. 2 mM ATP added to the protein prior to crystallization. ATP only bound in one subunit. plate 20308 F10 drop2, Puck: PSL-0302, Cryo: 33% (w/v) PEG 3350, 0.1M Bis-Tris pH 5.5, 0.2M Ammonium Sulfate