6ZHI

Structure of the Plasmodium falciparum Hsp70-x substrate binding domain in complex with hydrophobic peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	71.069, 93.853, 85.296
Unit cell angles	90.00, 99.47, 90.00

Refinement procedure

Resolution	84.130 - 3.250
R-factor	0.298
Rwork	0.297
R-free	0.32100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4po2
RMSD bond length	0.009
RMSD bond angle	1.120
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.890	3.310
High resolution limit [Å]	3.250	3.250
Rmerge	0.116	1.857
Rmeas	0.125	2.016
Rpim	0.048	0.777
Number of reflections	17457	796
<I/σ(I)>	8.7	1.5
Completeness [%]	99.8	94.09
Redundancy	6.9	1.5
CC(1/2)	1.000	0.568

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M bicine/2-Amino-2-(hydroxymethyl)propane-1,3-diol base 10% w/v PEG 20,000 20% w/v PEG MME 550 0.03 M of each of di- to penta-ethyleneglycol