6UI4

Crystal structure of phenamacril-bound F. graminearum myosin I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.12
Spacegroup name	P 21 21 21
Unit cell lengths	59.502, 100.311, 165.615
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.906 - 2.650
R-factor	0.2134
Rwork	0.211
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4byf
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.660
High resolution limit [Å]	2.600	2.600
Number of reflections	29620	3504
<I/σ(I)>	7.2
Completeness [%]	99.8
Redundancy	11.2
CC(1/2)	0.996	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1 M BIS-TRIS propanol, and 30% (w/v) polyethylene glycol 6,000