9TFS

Complex of blast (Magnaporthe oryzae) effector PBY2 with the engineered integrated HMA domain of Rwt7 from wheat

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	2025-01-23
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.953709
Spacegroup name	P 43 21 2
Unit cell lengths	105.197, 105.197, 69.134
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.500 - 1.800
R-factor	0.1744
Rwork	0.173
R-free	0.20974
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.893
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.500	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.147	1.240
Rmeas	0.148	1.254
Rpim	0.022	0.185
Total number of observations		96874
Number of reflections	36570	2113
<I/σ(I)>	22.2	3.9
Completeness [%]	100.0
Redundancy	45.9	45.8
CC(1/2)	1.000	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2.4 M ammonium sulfate, 0.1 M MES pH 6