7T3V

Metal dependent activation of Plasmodium falciparum M17 aminopeptidase, spacegroup P22121 after crystals soaked with Zn2+

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	2020-07-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 2 21 21
Unit cell lengths	111.760, 172.756, 176.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.240 - 2.300
R-factor	0.2196
Rwork	0.219
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7srv
RMSD bond length	0.004
RMSD bond angle	0.595
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.260	2.385
High resolution limit [Å]	2.300	2.300
Rmerge	0.141	1.560
Number of reflections	144874	14859
<I/σ(I)>	11.81	1.26
Completeness [%]	95.5
Redundancy	9.7
CC(1/2)	0.998	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	50 mM HEPES pH 8.0, 150 mM NaCl