8SLG

Crystal Structure of Glycine tRNA ligase from Mycobacterium thermoresistibile (glycyl adenylate 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	2022-02-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	170.248, 87.108, 99.358
Unit cell angles	90.00, 104.21, 90.00

Refinement procedure

Resolution	48.160 - 1.950
R-factor	0.1756
Rwork	0.174
R-free	0.20050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.942
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_4932: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.320	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.071	1.072
Rmeas	0.076	1.166
Rpim	0.029	0.453
Total number of observations	710881	49368
Number of reflections	102442	7532
<I/σ(I)>	13	1.6
Completeness [%]	99.9
Redundancy	6.9	6.6
CC(1/2)	0.999	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Index F11: 0.2M NaCl, 0.1M Bis-Tris pH 6.5, 25% (w/v) PEG3350, MythA.19107.a.A1.PW39162 at 17 mg/mL. Plate:13141 well F11 drop 1. Puck: PSL-0705, Cryo: 15% Glycerol + 85% Crystallant. 2mM 5'-O-(glycylsulfamoyl)adenosine (G5A) added prior to crystallization.