8OW7

Crystal structure of Tannerella forsythia sugar kinase K1058 in complex with N-acetylmuramic acid (MurNAc)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-05
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	143.750, 143.750, 210.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.850 - 3.060
Rwork	0.219
R-free	0.24540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.609
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.585	3.270	3.230
High resolution limit [Å]	3.060	3.080	3.060
Number of reflections	48712	7500	7754
<I/σ(I)>	7.97
Completeness [%]	100.0
Redundancy	20.38
CC(1/2)	0.990	0.976	0.363

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	1.5 M ammonium sulfate, 0.1 M Tris pH 8.5, 12% (v/v) glycerol
2	VAPOR DIFFUSION, SITTING DROP	8.5	277	1.5 M ammonium sulfate, 0.1 M Tris pH 8.5, 12% (v/v) glycerol