9HB0

Crystal structure of Plasmodium falciparum Plasmepsin X in complex with the hydroxyethylamine drug 7k.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	I 2 3
Unit cell lengths	147.950, 147.950, 147.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	104.616 - 1.700
Rwork	0.195
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	2.067
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.88))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.620	104.620	1.730
High resolution limit [Å]	1.700	9.000	1.700
Rmerge	0.100	0.042	6.873
Rmeas	0.102	0.043	7.047
Rpim	0.022	0.009	1.557
Number of reflections	59002	447	3126
<I/σ(I)>	22.6
Completeness [%]	100.0
Redundancy	40.4	37	40.2
CC(1/2)	1.000	0.999	0.303

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293.15	20% [w/v] PEG 4000, 0.2 M Magnesium sulfate, 10% [w/v] Glycerol