8CDQ

Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-12
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9687
Spacegroup name	P 21 21 21
Unit cell lengths	114.416, 170.919, 90.399
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	95.080 - 2.210
R-factor	0.1905
Rwork	0.188
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ycy
RMSD bond length	0.009
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.080	2.430
High resolution limit [Å]	2.210	2.210
Rmerge	0.199	1.476
Number of reflections	57115	2857
<I/σ(I)>	8.1	1.5
Completeness [%]	93.9	59.2
Redundancy	7
CC(1/2)	0.992	0.546

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277.15	2.0 M ammonium sulfate, 0.1M sodium HEPES pH 7,5, 4% PEG400