5Y19

Crystal structure of Plasmodium falciparum aminopeptidase N in complex with (S)-2-((2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido)- N-hydroxy-4-methylpentanamide.

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	2016-05-26
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	74.988, 109.258, 112.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.960 - 1.830
R-factor	0.168
Rwork	0.166
R-free	0.20730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x2u
RMSD bond length	0.019
RMSD bond angle	1.862
Data reduction software	DENZO (2.3.1)
Data scaling software	SCALEPACK (2.2.0)
Refinement software	REFMAC (5.8.0135:01/10/15)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.960	1.896
High resolution limit [Å]	1.830	1.830
Rmerge	0.062	0.064
Number of reflections	80888	7820
<I/σ(I)>	24.4	5.79
Completeness [%]	98.9	99.8
Redundancy	6.1	6.9
CC(1/2)	0.997	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	298	0.1M Tris pH 8.5, 0.2M Magnesium chloride, 24% PEG 2000