8SLF

Crystal Structure of Glycine tRNA ligase from Mycobacterium thermoresistibile (AMP 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	173.757, 86.297, 98.986
Unit cell angles	90.00, 104.20, 90.00

Refinement procedure

Resolution	42.600 - 2.900
R-factor	0.1854
Rwork	0.183
R-free	0.22390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.744
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]	47.980	3.060
High resolution limit [Å]	2.900	2.900
Rmerge	0.063	0.502
Rmeas	0.075	0.589
Rpim	0.040	0.305
Total number of observations	111242	16846
Number of reflections	31541	4598
<I/σ(I)>	9	1.5
Completeness [%]	99.6
Redundancy	3.5	3.7
CC(1/2)	0.998	0.912

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, A4. Puck: PSL-1512, Cryo: 25% PEG200 + 85% crystallant. 2mM AMP added prior to crystallization