9YMM

Crystal structure of Glutamate--tRNA ligase (GltX) from Moraxella catarrhalis in complex with 5'-O-(N-Glutamyl)sulfamoyladeonosine

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	2025-07-26
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	53.713, 124.225, 458.212
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.300 - 2.920
R-factor	0.2164
Rwork	0.214
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.776
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]	49.300	3.000
High resolution limit [Å]	2.920	2.920
Rmerge	0.218	1.471
Rmeas	0.227	1.526
Rpim	0.062	0.406
Total number of observations	906211	70232
Number of reflections	68405	5044
<I/σ(I)>	11.4	1.7
Completeness [%]	100.0
Redundancy	13.2	13.9
CC(1/2)	0.997	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	291	Grid Salt HT B2: 2.4M ammonium sulfate, 0.1M citrate pH 5.0, MocaA.01348.a.UX11.PS38771 at 26.6 mg/mL. 2mM ligand added prior to crystallization. Plate 20153 B2 drop 1 , Puck: PSL-0805, Cryo: 2.5 M ammonium sulfate.