6R8M

Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikE 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	2016-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	66.456, 80.701, 105.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.500 - 1.850
R-factor	0.1886
Rwork	0.186
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g10
RMSD bond length	0.010
RMSD bond angle	1.558
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]	29.500	1.890
High resolution limit [Å]	1.850	1.850
Rmerge	0.052	0.751
Rmeas	0.054	0.773
Rpim	0.017	0.181
Number of reflections	49337	2963
<I/σ(I)>	31
Completeness [%]	99.8	97.8
Redundancy	18.3	17.8
CC(1/2)	1.000	0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Morpheus HT-96 condition A8 [0.06M Divalents (0.3M Magnesium chloride hexahydrate; 0.3M Calcium chloride dihydrate); 0.1M Buffer system 2 (Sodium HEPES; MOPS (acid)) pH 7.5; 37.5%v/v Precipitant mix 4 (25%v/v MPD; 25%v/v PEG 1000; 25%v/v PEG3350)