9YC7

Plasmodium falciparum M17 aminopeptidase (PfA-M17) bound to inhibitor 3k (MIPS3415)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	173.842, 177.515, 230.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.300 - 2.370
R-factor	0.2504
Rwork	0.248
R-free	0.28660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.382
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.455
High resolution limit [Å]	2.370	2.370
Rmerge	0.132	0.283
Number of reflections	464871	43564
<I/σ(I)>	4.88	2.72
Completeness [%]	94.9	93.85
Redundancy	1.7	1.6
CC(1/2)	0.976	0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	30-40% PEG400, 0.1 M Tris pH 7.5-8.5, 0.2 M Li2SO4