6AQU

Crystal Structure of Plasmodium falciparum purine nucleoside phosphorylase: The M183L mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-12
Detector	RAYONIX MX-225
Wavelength(s)	0.97931
Spacegroup name	I 41 2 2
Unit cell lengths	132.500, 132.500, 115.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	93.690 - 2.600
R-factor	0.24409
Rwork	0.242
R-free	0.28723
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3phc
RMSD bond length	0.010
RMSD bond angle	1.486
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.690	2.720
High resolution limit [Å]	2.600	2.600
Number of reflections	16166	1935
<I/σ(I)>	18	2
Completeness [%]	99.9	100
Redundancy	16	14.4
CC(1/2)	0.990	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	200 mM Sodium Acetate, 20 %(w/v) PEG 3350