9Y4S

Crystal structure of DNA integrity scanning protein (DisA) from Mycobacterium tuberculosis in complex with cyclic di-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-07-03
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	277.526, 74.263, 199.413
Unit cell angles	90.00, 126.05, 90.00

Refinement procedure

Resolution	49.220 - 2.890
R-factor	0.2053
Rwork	0.203
R-free	0.25220
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.757
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5794: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.220	2.970
High resolution limit [Å]	2.890	2.890
Rmerge	0.164	1.543
Rmeas	0.178	1.663
Rpim	0.068	0.614
Total number of observations	507379	39545
Number of reflections	74055	5463
<I/σ(I)>	11.5	1.5
Completeness [%]	99.8
Redundancy	6.9	7.2
CC(1/2)	0.997	0.502

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpheus Fusion F12: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM Tris/BICINE, pH 8.5, 20 mM D-Glucose, 20 mM D-Mannose, 20 mM D-Galactose, 20 mM L-Fucose, 20 mM D-Xylose and 20 mM N-Acetyl-D-Glucosamine. MytuD.17706.a.B2.PW39404 at 13.1 mg/mL. Screened as apo protein but cyclic di-AMP was bound to 4 sites likely acquired from the expression host. plate 19976 F12 drop 2, Puck: PSL-2416, Cryo: direct