2ANL

X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite plasmodium malariae bound to an allophenylnorstatine based inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	95.884, 112.579, 90.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 3.300
Rwork	0.247
R-free	0.29800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	homology model
RMSD bond length	0.100
RMSD bond angle	1.800
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	25.000
High resolution limit [Å]	3.300
Number of reflections	14334
Completeness [%]	94.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	0.2 M ammonium sulfate, 15% PEG 4000 + inhibitor, VAPOR DIFFUSION, temperature 298K