7F98

Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L95

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	70.720, 106.110, 145.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.943 - 1.999
R-factor	0.1922
Rwork	0.190
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vad
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.943	2.120
High resolution limit [Å]	1.998	1.998
Rmerge	0.090
Rmeas	0.094	0.821
Number of reflections	74529	11755
<I/σ(I)>	12.62	0.79
Completeness [%]	99.7	98.4
Redundancy	13.4
CC(1/2)	1.000	0.470

Crystallization Conditions

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