9UDL

Cocrystal structure of human cytosolic phenylalanyl-tRNA synthetase and an inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-09-29
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97918
Spacegroup name	P 43 21 2
Unit cell lengths	109.352, 109.352, 279.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.350 - 3.400
R-factor	0.2184
Rwork	0.217
R-free	0.24350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l4g
RMSD bond length	0.013
RMSD bond angle	1.483
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.900	3.630
High resolution limit [Å]	3.400	3.400
Rmerge	0.163	2.820
Rmeas	0.170	2.929
Rpim	0.047	0.787
Total number of observations	314175	59335
Number of reflections	24301	4314
<I/σ(I)>	13.6	1
Completeness [%]	100.0
Redundancy	12.9	13.8
CC(1/2)	0.999	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	1.2 M sodium formate, 0.05 M tris pH 8.5, 8% v/v PEG 500 MME and 8% w/v PEG 20000.