7NQS

Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with Z1203107138

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	2019-07-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 21 21 21
Unit cell lengths	79.880, 102.870, 103.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.300 - 2.560
R-factor	0.2117
Rwork	0.210
R-free	0.24110
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]	63.300	2.600
High resolution limit [Å]	2.560	2.560
Rmeas	0.131	2.166
Number of reflections	28236	1398
<I/σ(I)>	9.4	0.9
Completeness [%]	100.0	100
Redundancy	6.6	6.8
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