9Y81

Crystal structure of Glutamate-tRNA synthetase GluRS from Chlamydia pneumoniae

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	2025-08-09
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	50.693, 130.099, 93.014
Unit cell angles	90.00, 104.20, 90.00

Refinement procedure

Resolution	49.140 - 2.080
R-factor	0.1846
Rwork	0.182
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.969
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5806: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.140	2.130
High resolution limit [Å]	2.080	2.080
Rmerge	0.091	1.228
Rmeas	0.099	1.325
Rpim	0.038	0.494
Total number of observations	483101	36978
Number of reflections	69981	5184
<I/σ(I)>	14.2	1.7
Completeness [%]	99.9
Redundancy	6.9	7.1
CC(1/2)	0.999	0.677

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 9.1 mg/mL. plate 20178 H7 d2, Puck: PSL-1705, Cryo: 20% ethylene glycol + 80% crystallant