7NQR

Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z287256168

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	79.970, 102.560, 103.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.330 - 2.220
R-factor	0.2123
Rwork	0.211
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rzq
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.330	2.260
High resolution limit [Å]	2.220	2.220
Rmeas	0.090	1.931
Number of reflections	42882	2097
<I/σ(I)>	11.6	0.9
Completeness [%]	100.0	100
Redundancy	6.6	6.8
CC(1/2)	1.000	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	20 mM HEPES pH 7.4 50 mM NaCl 1 mM DTT 3.5 mM AMP-PNP 24% w/v PEG 1500 20% v/v glycerol