8JE7

Crystal Structure of Anopheles culicifacies Prolyl-tRNA Synthetase (AcPRS) in complex with two inhibitors (Halofuginone and L95)

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	2022-07-24
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	83.675, 113.712, 123.999
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.808 - 2.140
R-factor	0.1825
Rwork	0.180
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f9a
RMSD bond length	0.008
RMSD bond angle	0.948
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]	83.810	2.190
High resolution limit [Å]	2.140	2.140
Rmeas	0.118	2.181
Number of reflections	65962	3061
<I/σ(I)>	12.8	0.8
Completeness [%]	99.5	93.4
Redundancy	12	5.6
CC(1/2)	1.000	0.300

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 pH 7.5 and 25% w/v PEG 4000