9TFR

Complex of blast (Magnaporthe oryzae) effector PBY2 with the engineered integrated HMA domain of Rmo2 from barley

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	2024-10-06
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.953709
Spacegroup name	P 31 1 2
Unit cell lengths	90.075, 90.075, 88.228
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.130 - 2.600
R-factor	0.19219
Rwork	0.188
R-free	0.26168
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	2.772
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]	88.230	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.107	2.442
Rmeas	0.108	2.471
Rpim	0.017	0.376
Total number of observations	531069	66239
Number of reflections	12793	1545
<I/σ(I)>	24.7	2
Completeness [%]	100.0
Redundancy	41.5	42.9
CC(1/2)	1.000	0.888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium sulfate, 0.1 M sodium acetate pH 4, 20% (w/v) PEG 3350