7F9D

Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L96

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	2018-02-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9800
Spacegroup name	P 21 21 21
Unit cell lengths	70.490, 106.130, 145.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.125 - 2.497
R-factor	0.1907
Rwork	0.187
R-free	0.26260
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]	44.125	2.650
High resolution limit [Å]	2.497	2.497
Number of reflections	73020	6158
<I/σ(I)>	9.23
Completeness [%]	99.7	98.5
Redundancy	13.2
CC(1/2)	0.990	0.900

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