9Z2X

Crystal structure of Glutamate-tRNA synthetase GluRS from Chlamydia pneumoniae (Orthorhombic C form)

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	C 2 2 21
Unit cell lengths	104.368, 135.411, 111.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.290 - 2.750
R-factor	0.2217
Rwork	0.219
R-free	0.26480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.700
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (2.0_5855)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.290	2.900
High resolution limit [Å]	2.750	2.750
Rmerge	0.211	1.583
Rmeas	0.227	1.695
Rpim	0.083	0.599
Total number of observations	156349	23671
Number of reflections	20966	2996
<I/σ(I)>	7.4	1.4
Completeness [%]	100.0
Redundancy	7.5	7.9
CC(1/2)	0.995	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	0.1M NaCH3COO/CH3COOH pH 5.0, 2% PEG 4000, 15% MPD. ChpnA.01348.a.UX11.PS38780 at 8 mg/mL. 2 mM ATP added to the protein prior to crystallization. plate 20340 E8 drop 1, Puck: PSL-1216, Cryo: 25% MPD + 75% crystallant