8SLH

Crystal Structure of Glycine tRNA ligase from Mycobacterium thermoresistibile (AMP bound, hexagonal form)

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	P 61 2 2
Unit cell lengths	126.254, 126.254, 127.896
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.550 - 3.050
R-factor	0.2329
Rwork	0.230
R-free	0.28790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.525
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]	44.920	3.260
High resolution limit [Å]	3.050	3.050
Rmerge	0.121	1.789
Rmeas	0.124	1.833
Rpim	0.028	0.399
Total number of observations	235374	44155
Number of reflections	12003	2114
<I/σ(I)>	20.5	2
Completeness [%]	99.9
Redundancy	19.6	20.9
CC(1/2)	0.999	0.883

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, H10. Puck: PSL-1508, Cryo: 15% PEG200 + 85% crystallant. 2mM AMP added prior to crystallization.