8YES

Crystal structure of adenosylcobinamide kinase / adenosylcobinamide phosphate guanylyltransferase complexed with adenosylcobinamide-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-03-08
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.97942
Spacegroup name	P 2 21 21
Unit cell lengths	99.213, 102.922, 129.228
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.964 - 2.600
Rwork	0.193
R-free	0.26330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	2.180
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.964	2.710
High resolution limit [Å]	2.600	2.600
Number of reflections	41344	4610
<I/σ(I)>	15.4
Completeness [%]	99.9
Redundancy	6.4
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.15 M Sodium Chloride, 0.1 M Bis-Tris: HCl, pH 6.5, 1.3 M Ammonium Sulfate