8C8U

Priestia megaterium mupirocin-resistant isoleucyl-tRNA synthetase 2 complexed with mupirocin

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	2020-03-02
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9999951402559115
Spacegroup name	P 21 21 2
Unit cell lengths	89.580, 124.830, 114.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.230 - 1.901
R-factor	0.1846
Rwork	0.183
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jzs
RMSD bond length	0.008
RMSD bond angle	0.909
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]	48.230	1.969
High resolution limit [Å]	1.901	1.901
Rmerge	0.130	2.579
Rmeas	0.135	2.681
Rpim	0.037	0.720
Number of reflections	101302	7452
<I/σ(I)>	14.93	1.01
Completeness [%]	90.6	74.27
Redundancy	13.3	13.4
CC(1/2)	0.999	0.452

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1-0.4 M Potassium tartrate 15-25 % (w/v) PEG3350 12.5 mM Hepes-KOH pH=7,5 at 20 oC 25 mM NaCl 5 mM lithium-mupirocin 8.25 mg/ml wt-HVGH-BmIleRS2