8JE5

Crystal Structure of Anopheles culicifacies Prolyl-tRNA Synthetase (AcPRS) in complex with Halofuginone

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	2022-10-05
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	81.129, 114.473, 120.463
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.237 - 2.570
R-factor	0.2091
Rwork	0.206
R-free	0.28020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f9a
RMSD bond length	0.009
RMSD bond angle	1.165
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.15rc1_3423: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.980	2.620
High resolution limit [Å]	2.570	2.570
Rmeas	0.168	5.641
Number of reflections	33971	1806
<I/σ(I)>	12	0.6
Completeness [%]	93.3	100
Redundancy	13.5	14.2
CC(1/2)	1.000	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M Sodium chloride, 0.1 M Sodium HEPES and 25% w/v PEG 4000