9Z2Z

Crystal structure of Glutamate-tRNA synthetase GluRS from Chlamydia pneumoniae in complex with O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE

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	2025-10-03
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	56.009, 132.244, 92.721
Unit cell angles	90.00, 107.42, 90.00

Refinement procedure

Resolution	73.530 - 2.800
R-factor	0.2336
Rwork	0.233
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.600
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]	88.470	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.124	1.690
Rmeas	0.134	1.820
Rpim	0.051	0.672
Total number of observations	217785	16822
Number of reflections	31695	2314
<I/σ(I)>	12.9	1.7
Completeness [%]	99.8
Redundancy	6.9	7.3
CC(1/2)	0.998	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	Proplex F1: 0.1M HEPES pH 7.0, 20% PEG 8000. ChpnA.01348.a.UX11.PS38780 at 8 mg/mL. 2 mM GSU added to the protein prior to crystallization. 20179 F1 drop 1, Puck: PSL-0609, Cryo: 20% glycerol + 80% crystallant