5Y1X

Crystal structure of Plasmodium falciparum aminopeptidase N in complex with actinonin

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	2017-06-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	75.723, 109.623, 113.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.660 - 1.550
R-factor	0.1906
Rwork	0.189
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x2u
RMSD bond length	0.020
RMSD bond angle	1.996
Data reduction software	DENZO (2.3.1)
Data scaling software	SCALEPACK (2.2.0)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.053	0.036	0.562
Rmeas	0.059	0.041	0.631
Rpim	0.025	0.017	0.281
Total number of observations	616828
Number of reflections	121853	11720	10999
<I/σ(I)>	19.6
Completeness [%]	89.4	82.6	81.7
Redundancy	5.1	5.5	4.5
CC(1/2)		0.998	0.821

Crystallization Conditions

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