8YEP

Crystal structure of adenosylcobinamide kinase / adenosylcobinamide phosphate guanylyltransferase from Methylocapsa palsarum

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	2022-11-24
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	52.600, 104.970, 111.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.654 - 1.800
Rwork	0.222
R-free	0.25650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.555
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]	29.654	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.050
Number of reflections	57890	3355
<I/σ(I)>	26.1
Completeness [%]	99.8
Redundancy	13.3
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.09 M NPS (sodium nitrate, sodium phosphate dibasic, ammonium sulfate), 0.1 M Buffer System 3 (Tris, Bicine (pH 8.5)), and 37.5% of Precipitant Mix 4 (25% v/v MPD, 25% PEG 1000, 25% w/v PEG 3350)