7F9A

Homo sapiens Prolyl-tRNA Synthetase (HsPRS) in Complex with L-proline and compound L97

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	70.740, 105.920, 145.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.934 - 1.999
R-factor	0.1971
Rwork	0.195
R-free	0.24180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vad
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	Auto-Rickshaw
Refinement software	PHENIX (1.15rc1_3423)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.934	2.120
High resolution limit [Å]	1.999	1.999
Rmerge	0.083	0.766
Rmeas	0.094	0.882
Number of reflections	74577	11817
<I/σ(I)>	12.48	0.54
Completeness [%]	99.8	98.9
Redundancy	15
CC(1/2)	1.000	0.500

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