7Y28

Controlling fibrosis using compound with novel binding mode to prolyl-tRNA synthetase 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 11C
Synchrotron site	PAL/PLS
Beamline	11C
Temperature [K]	293
Detector technology	PIXEL
Collection date	2018-10-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	71.563, 92.380, 86.059
Unit cell angles	90.00, 108.72, 90.00

Refinement procedure

Resolution	45.430 - 2.290
R-factor	0.2098
Rwork	0.207
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k88
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20_4438)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.430	2.330
High resolution limit [Å]	2.290	2.290
Number of reflections	45110	45110
<I/σ(I)>	22.8
Completeness [%]	93.8
Redundancy	4.5
CC(1/2)	0.749	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG3500, CaCl2