9HKK

Structure of the malarial hexose transporter 1 (PfHT1) in complex with 2,5-anhydro-D-mannitol.

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-08
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.8731
Spacegroup name	P 1 21 1
Unit cell lengths	123.924, 70.752, 181.361
Unit cell angles	90.00, 107.06, 90.00

Refinement procedure

Resolution	25.360 - 3.550
R-factor	0.2349
Rwork	0.233
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.692
Data reduction software	XDS (20230630)
Data scaling software	XDS (20230630)
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.360	3.670
High resolution limit [Å]	3.550	3.550
Number of reflections	235910	3556
<I/σ(I)>	5.02	0.73
Completeness [%]	98.7	98.2
Redundancy	6.5
CC(1/2)	0.980	0.276

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES pH 7.5, 26 % (w/v) PEG 400.