9R3W

Fungal tRNA ligase Trl1-LIG-KIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.8731
Spacegroup name	P 4 21 2
Unit cell lengths	112.674, 112.674, 108.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.800 - 1.890
R-factor	0.1835
Rwork	0.182
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.146
Data reduction software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Data scaling software	Aimless (0.7.15)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	1.960
High resolution limit [Å]	1.890	1.890
Rmerge	0.168	2.801
Rmeas	0.171	2.855
Rpim	0.033	0.551
Number of reflections	1492263	144695
<I/σ(I)>	17.7	1.4
Completeness [%]	100.0	100
Redundancy	26.5	26.6
CC(1/2)	0.999	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	41%(v/v) PEG 400 and 0.1 M imidazole