6G10

Complex of rice blast (Magnaporthe oryzae) effector protein AVR-PikD 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 1 21 1
Unit cell lengths	40.500, 66.261, 45.739
Unit cell angles	90.00, 113.32, 90.00

Refinement procedure

Resolution	42.000 - 1.350
R-factor	0.1447
Rwork	0.143
R-free	0.18355
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5a6w
RMSD bond length	0.018
RMSD bond angle	1.919
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]	42.000	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.061
Number of reflections	48646
<I/σ(I)>	13.4
Completeness [%]	99.8
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	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)