8CDM

Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002

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	2021-07-11
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1.0722
Spacegroup name	P 21 21 21
Unit cell lengths	89.931, 114.409, 170.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.440 - 2.350
R-factor	0.199
Rwork	0.196
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ycy
RMSD bond length	0.008
RMSD bond angle	0.924
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.970	2.530
High resolution limit [Å]	2.350	2.350
Rmerge	0.144	1.672
Number of reflections	55344	2767
<I/σ(I)>	11.3
Completeness [%]	93.9
Redundancy	9.6
CC(1/2)	0.997	0.578

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