9ZW5

Ubiquitous Bacterial Kinase - UbK1 from Porphyromonas gingivalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.18079
Spacegroup name	P 21 2 21
Unit cell lengths	46.856, 47.788, 96.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.230 - 2.600
R-factor	0.19251
Rwork	0.189
R-free	0.25443
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.528
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.230	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.107	0.670
Rmeas	0.121	0.761
Rpim	0.055	0.349
Total number of observations		3522
Number of reflections	7011	847
<I/σ(I)>	9.6	2.2
Completeness [%]	98.8
Redundancy	4.2	4.2
CC(1/2)	0.997	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.33	298.15	0.1 M Bis Tris propane pH 6.33, 30% polyethylene glycol 3350, 0.2 M Na/K phosphate, 1.25 mM Beryllium sulphate, 8.75 mM Sodium fluoride and 630 mM Manganese chloride