6R8K

Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD with an engineered HMA domain of Pikp-1 from rice (Oryza sativa)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	29.790, 65.330, 75.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.800 - 1.600
R-factor	0.1983
Rwork	0.197
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g10
RMSD bond length	0.009
RMSD bond angle	1.495
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.800	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.081	0.971
Rmeas	0.084	1.010
Rpim	0.024	0.380
Number of reflections	20294	978
<I/σ(I)>	16.1	2.6
Completeness [%]	100.0	100
Redundancy	12.8	13.3
CC(1/2)	0.990	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.12M Alcohols (0.2M 1,6-Hexanediol, 0.2M 1-Butanol, 0.2M 1,2-Propanediol, 0.2M 2- Propanol, 0.2M 1,4-Butanediol, 0.2M 1,3-Propanediol), 0.1M Buffer system 1 (1M Imidazole, MES monohydrate (acid)) pH 6.5, 50% v/v Precipitant mix 4 (25%v/v MPD, 25%v/v PEG 1000, 25%v/v PEG3350)