9UIZ

PLASMODIUM VIVAX PHENYLALANYL-TRNA SYNTHETASE IN COMPLEX WITH PHE-AMS IN SPACE GROUP P21

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	2024-02-25
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	73.909, 95.214, 181.532
Unit cell angles	90.00, 97.81, 90.00

Refinement procedure

Resolution	29.510 - 3.100
R-factor	0.236
Rwork	0.235
R-free	0.26560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7by6
RMSD bond length	0.002
RMSD bond angle	0.603
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.930	3.180
High resolution limit [Å]	3.100	3.100
Rmeas	0.128	0.906
Number of reflections	45368	3314
<I/σ(I)>	13.7	2.3
Completeness [%]	99.8	99.5
Redundancy	7	7
CC(1/2)	1.000	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Ammonium tartrate dibasic pH 7.0, 12% w/v Polyethylene glycol 3,350 (PEG Ion G5)