9WQT

Crystal structure of Saccharomyces cerevisiae isoleucyl-tRNA synthetase in complex with reveromycin A and isoleucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	170.811, 65.042, 142.109
Unit cell angles	90.00, 107.79, 90.00

Refinement procedure

Resolution	47.880 - 1.900
R-factor	0.19429
Rwork	0.193
R-free	0.21949
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.228
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.088	0.069	0.448
Rmeas	0.105	0.083	0.537
Rpim	0.057	0.045	0.293
Total number of observations	382625
Number of reflections	116732	11981	11594
<I/σ(I)>	6.9
Completeness [%]	99.8	100	99.8
Redundancy	3.3	3.3	3.2
CC(1/2)	0.983	0.972	0.881

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	0.2 M ammonium sulfate, 0.1 M BIS-Tris pH 7.0, 20% PEG 3350