8OQW

Crystal structure of Tannerella forsythia MurNAc kinase MurK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-18
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 1
Unit cell lengths	58.759, 59.510, 96.708
Unit cell angles	74.30, 75.27, 65.95

Refinement procedure

Resolution	49.503 - 2.050
Rwork	0.201
R-free	0.24860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x7f
RMSD bond length	0.004
RMSD bond angle	1.126
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]	49.503	2.170
High resolution limit [Å]	2.050	2.050
Number of reflections	68635	11045
<I/σ(I)>	9.06
Completeness [%]	96.1
Redundancy	2.37
CC(1/2)	0.997	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2-0.3 M ammonium sulfate, 14-22% (w/v) PEG3350, bis-tris/citric acid pH 4.1-6.4