6S02

Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain - ADP bound state

Replaces:  7NQTReplaces:  7NR0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-31
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	80.115, 101.796, 103.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	72.510 - 1.870
R-factor	0.2239
Rwork	0.222
R-free	0.25160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rzq
RMSD bond length	0.007
RMSD bond angle	0.690
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.510	1.940
High resolution limit [Å]	1.870	1.870
Rmerge	0.068	1.670
Rmeas	0.086	1.820
Rpim	0.034	0.720
Number of reflections	70498	3452
<I/σ(I)>	10.33	1.1
Completeness [%]	98.8	94.87
Redundancy	6.3	6.3
CC(1/2)	0.998	0.582

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1 M MES 5% w/v PEG 3,000 30% v/v PEG 200