9UEO

Co-crystal structure of Mtb CdnP with arabinose-derived 2'3'-cGAMP (AR-cGAMP) analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2024-02-27
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	I 21 21 21
Unit cell lengths	78.400, 148.920, 159.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.140 - 2.600
Rwork	0.210
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	iMOSFLM (7.1)
Data scaling software	Aimless (7)
Phasing software	MOLREP (11)
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	51.140	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.200	0.412
Rmeas	0.220	0.583
Rpim		0.412
Number of reflections	29097	2906
<I/σ(I)>	4.96
Completeness [%]	99.8	99.83
Redundancy	6.6	6.1
CC(1/2)	0.980	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	tacsimate pH 6.0 (6 % v/v), 10 mM MES monohydrate pH 6.0, polyethylene glycol 4000 (25 % w/v)