8OW9

Crystal structure of Tannerella forsythia MurNAc kinase MurK 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	2022-06-30
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	I 4
Unit cell lengths	113.425, 113.425, 294.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.130 - 2.700
R-factor	0.2689
Rwork	0.257
R-free	0.27580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.690
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	2.870
High resolution limit [Å]	2.700	2.700
Number of reflections	49814	8018
<I/σ(I)>	8.06
Completeness [%]	98.5
Redundancy	14.1
CC(1/2)	0.994	0.466

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	15% PEG10000, 100 mM trisodium citrate pH 5.5, 2% v/v 1,4-dioxane