6Q76

Complex of rice blast (Magnaporthe oryzae) effector protein AVR-Pia 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	2017-09-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 2 21 21
Unit cell lengths	34.844, 53.444, 117.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.720 - 1.900
R-factor	0.2053
Rwork	0.203
R-free	0.24510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2myw 5a6p
RMSD bond length	0.012
RMSD bond angle	1.501
Data reduction software	xia2 (0.5.328)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.720	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.057
Number of reflections	18107	1151
<I/σ(I)>	19.7
Completeness [%]	100.0	100
Redundancy	12.6	13.3
CC(1/2)	0.990	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.12 M Alcohols (0.2 M 1,6-Hexanediol; 0.2 M 1-Butanol; 0.2 M 1,2-Propanediol; 0.2 M 2-Propanol; 0.2 M 1,4-Butanediol; 0.2 M 1,3-Propanediol), 0.1 M Buffer System 1 (1.0 M imidazole; MES monohydrate (acid), pH 6.5) and 50 % v/v Precipitant Mix 2 (40 % v/v Ethylene glycol; 20 % w/v PEG 8000)