8BAU

Phytophthora nicotianae var. parasitica NADAR in complex with ADP-ribose

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	2022-05-26
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97629
Spacegroup name	P 21 21 21
Unit cell lengths	44.829, 66.593, 72.888
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.212 - 1.600
Rwork	0.198
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.014
RMSD bond angle	1.907
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.212	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.072	2.128
Rmeas	0.077	2.246
Rpim	0.024	0.712
Number of reflections	29538	1421
<I/σ(I)>	13	0.9
Completeness [%]	100.0
Redundancy	9.6	9.8
CC(1/2)	1.000	0.596

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.1 M Sodium HEPES pH 7.5, 20% (w/v) PEG10000