8SLD

Crystal Structure of Glycine tRNA ligase from Mycobacterium thermoresistibile (Apo)

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	2022-02-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	I 41 3 2
Unit cell lengths	190.848, 190.848, 190.848
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.980 - 2.850
R-factor	0.2344
Rwork	0.233
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.435
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.710	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.176	3.704
Rmeas	0.177	3.726
Rpim	0.020	0.402
Total number of observations	1137228	172041
Number of reflections	14177	2020
<I/σ(I)>	30.8	2
Completeness [%]	100.0
Redundancy	80.2	85.2
CC(1/2)	1.000	0.784

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	JCSG+ H8: 25% (w/v) PEG 3350, 0.2M NaCl, 0.1M Bis-Tris pH 5.5, MythA.19107.a.A1.PW39162 at 17 mg/mL. Plate: Clover 1/12/2023 AMP, F10. Puck: PSL-1504, Cryo: 25% PEG200 + 85% crystallant. 2mM AMP added prior to crystallization but not observed in the structure