9VIT

Crystal strcture of adenosylcobinamide kinase/adenosylcobinamide phosphate guanylyltransferase CobU H49A from Akkermansia muciniphila in complex with GTP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-09-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	52.740, 55.533, 97.807
Unit cell angles	90.00, 100.95, 90.00

Refinement procedure

Resolution	49.690 - 2.400
R-factor	0.2309
Rwork	0.229
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.745
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.690	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.071	0.851
Rmeas	0.078	0.923
Rpim	0.031	0.354
Total number of observations	122513	15182
Number of reflections	20017	2277
<I/σ(I)>	13.3	2.1
Completeness [%]	91.0
Redundancy	6.1	6.7
CC(1/2)	0.999	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	289	0.03 M Citric acid, 0.07 M BIS-TRIS propane, pH 7.6, 20% Polyethylene glycol 3350