8U2P

Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (G5A 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	2023-08-06
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 61 2 2
Unit cell lengths	124.293, 124.293, 131.383
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.150 - 2.250
R-factor	0.18
Rwork	0.179
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.593
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5057: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.800	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.198	2.394
Rmeas	0.201	2.434
Rpim	0.036	0.439
Total number of observations	890444	79397
Number of reflections	29045	2616
<I/σ(I)>	18.1	2
Completeness [%]	100.0
Redundancy	30.7	30.4
CC(1/2)	0.999	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	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. Crystals grown in a clover Jr. plate using conditions for PDB entry 8T5N. 4 hour soak in 5mM G5A in crystallant. Plate SS-Clover book 3, pg35. Puck: PSL-1308, Cryo: direct.