7NQZ

Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1827898537

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	79.870, 103.226, 104.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.290 - 2.319
R-factor	0.2107
Rwork	0.209
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rzq
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.060	2.360
High resolution limit [Å]	2.320	2.320
Rmeas	0.116	2.300
Number of reflections	38003	1808
<I/σ(I)>	9.9	6.3
Completeness [%]	100.0	96.6
Redundancy	6.4	6.3
CC(1/2)	1.000	0.500

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