8C9F

Priestia megaterium inactive HIGH motif mutant of type1 isoleucyl-tRNA synthetase complexed with an isoleucyl-adenylate analogue.

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	2020-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000305674358714
Spacegroup name	P 31 2 1
Unit cell lengths	127.040, 127.040, 163.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.810 - 3.100
R-factor	0.2418
Rwork	0.239
R-free	0.27630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.430
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]	48.810	3.211
High resolution limit [Å]	3.100	3.100
Rmerge	0.122	3.731
Rmeas	0.126	3.820
Rpim	0.027	0.814
Number of reflections	28199	1927
<I/σ(I)>	19.7	1
Completeness [%]	90.8	90.83
Redundancy	20.7	21.8
CC(1/2)	0.999	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	5 mM Ile-AMS and 20 mg/ml mut-GMHH-PmIleRS1 were mixed in 1:1 ratio with the well solution containing: 300 mM lithium sulfate, 150 mM sodium sulfate, and 15 - 25 % 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.