5Y1W

Crystal structure of Plasmodium falciparum aminopeptidase N with Magnesium bound to active site Zinc

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	2017-06-14
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	74.421, 109.205, 112.477
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.670 - 1.560
R-factor	0.1721
Rwork	0.170
R-free	0.20560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x2u
RMSD bond length	0.023
RMSD bond angle	2.114
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]	34.670	50.000	1.620
High resolution limit [Å]	1.560	3.360	1.560
Rmerge	0.032	0.024	0.189
Rmeas	0.036	0.027	0.214
Rpim	0.015	0.011	0.097
Number of reflections	126034		12570
<I/σ(I)>	35.4		6.84
Completeness [%]	96.4	93.4	97.2
Redundancy	4.8	5.3	4.4
CC(1/2)	0.999	0.999	0.974

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