9R72

Crystal structure of Odinarchaeota Adenylate kinase (OdinAK) S74G mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-13
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	77.635, 77.004, 115.857
Unit cell angles	90.00, 96.86, 90.00

Refinement procedure

Resolution	43.660 - 3.580
R-factor	0.2453
Rwork	0.244
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.871
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.660	3.710
High resolution limit [Å]	3.580	3.580
Rmerge	0.512	2.151
Rpim	0.230	1.055
Number of reflections	16240	1615
<I/σ(I)>	3.3	0.7
Completeness [%]	99.9	100
Redundancy	7.6
CC(1/2)	0.963	0.374

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M magnesium acetate tetrahydrate, 0.1 M sodium cacodylate trihydrate pH 6.5, and 20% (w/v) PEG 8000