9Y65

Plasmodium falciparum M1 aminopeptidase (PfA-M1) 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 MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-04
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	73.953, 109.530, 116.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.580 - 2.200
R-factor	0.1968
Rwork	0.195
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.519
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.580	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.157	1.420
Rmeas	0.170	1.532
Rpim	0.064	0.571
Number of reflections		48806
<I/σ(I)>	10.3	1.8
Completeness [%]	99.6	98.2
Redundancy	6.9	7
CC(1/2)	0.996	0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20-30% poly(ethylene glycol) (PEG)8000, 0.1 M Tris pH 7.5-8.5, 0.2 M MgCl2, 10% glycerol