7X09

Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with inhibitors L95 and Halofuginone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	71.988, 105.653, 145.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.169 - 1.700
R-factor	0.1964
Rwork	0.195
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f98
Data reduction software	DIALS (3.6.2-g16e93f55b-release)
Data scaling software	DIALS (3.6.2-g16e93f55b-release)
Phasing software	PHASER
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.070	1.730
High resolution limit [Å]	1.700	1.700
Rmeas	0.075	2.118
Number of reflections	120903	5130
<I/σ(I)>	17.6	0.4
Completeness [%]	98.7	80.1
Redundancy	11.9	5.4
CC(1/2)	1.000	0.300

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES, 0.5 M CaCl2, 20% PEG 3350