7X1O

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

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	2021-09-30
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	72.030, 93.730, 87.090
Unit cell angles	90.00, 109.62, 90.00

Refinement procedure

Resolution	33.519 - 2.040
R-factor	0.1964
Rwork	0.194
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7x09
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.870	2.080
High resolution limit [Å]	2.040	2.040
Rmeas	0.077	2.377
Number of reflections	69421	3469
<I/σ(I)>	13.3	0.8
Completeness [%]	100.0	99.6
Redundancy	7	7.2
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 PH 7.5, 1.5 M CACL2, 20% PEG 3350