9MZ5

EatA-EatI complex from Mycobacterium avium subsp. paratuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-03-07
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.6199
Spacegroup name	P 21 21 21
Unit cell lengths	67.260, 101.469, 118.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.130 - 1.650
R-factor	0.1646
Rwork	0.163
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.096
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	77.009	1.792
High resolution limit [Å]	1.650	1.650
Rmerge	0.140
Rmeas	0.146
Rpim	0.041
Number of reflections	68287	22413
<I/σ(I)>	1.8633
Completeness [%]	88.5
Redundancy	11.3
CC(1/2)	0.998	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Ammonium nitrate pH 6.3, 20% PEG 3350