6G11

Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikE with the 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	2016-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	67.196, 80.177, 105.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.290 - 1.900
R-factor	0.20954
Rwork	0.209
R-free	0.22443
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a6w
RMSD bond length	0.014
RMSD bond angle	1.614
Data reduction software	xia2 (0.5.328)
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.290	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.100
Number of reflections	45720
<I/σ(I)>	14.5
Completeness [%]	100.0
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.06M Divalents (0.3M Magnesium chloride hexahydrate; 0.3M Calcium chloride dihydrate); 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)