8IXI

Crystal structure of macrolide phosphotransferase from Klebsiella pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-23
Detector	Bruker PHOTON II
Wavelength(s)	1.54184
Spacegroup name	P 1 21 1
Unit cell lengths	53.447, 89.027, 65.997
Unit cell angles	90.00, 93.95, 90.00

Refinement procedure

Resolution	45.780 - 2.280
R-factor	0.21334
Rwork	0.211
R-free	0.26357
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.339
Data scaling software	XDS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.780	2.360
High resolution limit [Å]	2.280	2.280
Rmerge	0.147	0.078
Rmeas	0.169	0.088
Rpim	0.081	0.041
Number of reflections	28209	2776
<I/σ(I)>	11.9	2.1
Completeness [%]	100.0
Redundancy	8
CC(1/2)	0.995	0.604

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Agnesium chloride hexahydrate, Bis-tris pH 6.5, PEG3350