8OQX

Crystal structure of Tannerella forsythia MurNAc kinase MurK with a phosphate analogue

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	2018-08-31
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	61.700, 55.650, 86.000
Unit cell angles	90.00, 93.60, 90.00

Refinement procedure

Resolution	48.610 - 2.120
Rwork	0.189
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	1.176
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.120	2.120
Number of reflections	33324	2435
<I/σ(I)>	10.37
Completeness [%]	100.0
Redundancy	6.84
CC(1/2)	0.996	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.12 - 0.14 M ammonium sulfate, Citric acid + Bis/Tris propane pH=5.5, PEG 3350 (14%-18% (w/v))