7QC2

Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline-tRNA ligase) from Plasmodium falciparum in complex with MAT334 and L-Proline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	103.500, 103.500, 127.510
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.950 - 2.280
R-factor	0.2289
Rwork	0.228
R-free	0.25280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6t7k
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX (1.19.2-4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.950	51.950	2.340
High resolution limit [Å]	2.280	10.200	2.280
Rmerge	0.062	0.026	1.652
Rmeas	0.065	0.028	1.741
Rpim	0.020	0.009	0.544
Total number of observations	372214	4149	27128
Number of reflections	36445	476	2662
<I/σ(I)>	18.4	57.9	1.3
Completeness [%]	99.6	99.3	99.2
Redundancy	10.2	8.7	10.2
CC(1/2)	1.000	0.999	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.2 M L-Pro, 10 % PEG3350, 0.1 M Hepes