8T5N

Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (AMP-Mg bound)

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	2023-05-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 61 2 2
Unit cell lengths	126.355, 126.355, 129.027
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.030 - 1.650
R-factor	0.1565
Rwork	0.156
R-free	0.17060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.976
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_4933: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.140	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.123	2.489
Rmeas	0.125	2.524
Rpim	0.021	0.417
Total number of observations	2570575	128822
Number of reflections	73239	3553
<I/σ(I)>	19.4	2
Completeness [%]	100.0
Redundancy	35.1	36.3
CC(1/2)	1.000	0.886

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpheus A2: 20%(v/v) Ethylene glycol, 10%(w/v) PEG 8000, 100 mM Imidazole/MES, pH 6.5, 30 mM MgCl2 and 30 mM CaCl2. MytuD.19107.a.UW1.PS38711 at 24.9 mg/mL. 10 mM MgCl2, 1 mM ATP added prior to crystallization. ATP hydrolyzed to AMP. plate 13247 well A2 drop 1. Puck: PSL-0301, Cryo: direct