8C9G

Priestia megaterium mupirocin-sensitive isoleucyl-tRNA synthetase 1 complexed with mupirocin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9999873570222049
Spacegroup name	P 1 21 1
Unit cell lengths	66.820, 144.280, 108.370
Unit cell angles	90.00, 95.64, 90.00

Refinement procedure

Resolution	60.390 - 2.800
R-factor	0.2018
Rwork	0.200
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.453
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]	60.390	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.150	1.288
Rmeas	0.177	1.513
Rpim	0.092	0.786
Number of reflections	49643	3810
<I/σ(I)>	6.95	0.94
Completeness [%]	90.3	75.64
Redundancy	3.6	3.6
CC(1/2)	0.993	0.373

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	Solution of 20 mg/ml wt-HMGH-PmIleRS1 with added 3 mM mupirocin was mixed in 1:1 ratio with the well solution containing: 400 - 900 mM LiCl and 10 - 20% 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 19 degrees.