8C8V

Priestia megaterium mupirocin-resistant isoleucyl-tRNA synthetase 2 with a fully-resolved C-terminal tRNA-binding domain complexed with an isoleucyl-adenylate analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-17
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.000000
Spacegroup name	P 43 21 2
Unit cell lengths	108.150, 108.150, 240.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.310 - 2.200
R-factor	0.1966
Rwork	0.196
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.526
Data reduction software	XDS (20190806)
Data scaling software	XSCALE (20190806)
Phasing software	PHASER (CCP4Interface 7.0.077)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.310	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.076	1.320
Rmeas	0.080	1.388
Rpim	0.022	0.426
Number of reflections	72948	5848
<I/σ(I)>	26.51	1.66
Completeness [%]	94.1	81.54
Redundancy	12.7	10.4
CC(1/2)	1.000	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	5 mM Ile-AMS and 16.5 mg/ml wt-HVGH-PmIleRS2 were mixed in 1:1 ratio with the well solution containing: 0.2-0.5 M Potassium tartrate, 10-20 % (w/v) PEG3350, 25 mM Hepes-KOH pH=7,5 at 20 oC, 50 mM NaCl. The drop volume of 2 microliters, was equilibrated towards 300 microliters of the well solution at 4 degrees.