7QC1

Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT436

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	2021-03-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	207.210, 207.210, 115.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.530 - 2.510
R-factor	0.1935
Rwork	0.191
R-free	0.23330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6t7k
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.530	2.510
High resolution limit [Å]	2.510	2.510
Rmerge	0.256	5.810
Number of reflections	86283	4261
<I/σ(I)>	11.5
Completeness [%]	100.0
Redundancy	26.7
CC(1/2)	0.999	0.359

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	1.5 M Malic acid