7VE2

Crystal Structure of Lopinavir bound Plasmepsin II (PMII) from Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-03-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 4
Unit cell lengths	108.940, 108.940, 70.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.520 - 3.200
R-factor	0.2268
Rwork	0.225
R-free	0.26617
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yic
RMSD bond length	0.004
RMSD bond angle	1.437
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.520	3.300
High resolution limit [Å]	3.200	3.200
Number of reflections	6877	602
<I/σ(I)>	9.95	1.04
Completeness [%]	99.9	100
Redundancy	7.54	7.57
CC(1/2)	0.990	0.370

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	1.4 M ammonium sulfate, 0.1 M Bis-Tris pH 5.5