8ZO3

The crystal structures of MurK in complex with N-acetylglucosamine from Clostridium acetobutylicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-15
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	52.028, 103.829, 108.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.940 - 1.880
R-factor	0.2153
Rwork	0.212
R-free	0.26920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.940
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.140	1.980
High resolution limit [Å]	1.880	1.880
Rmerge	0.151	0.735
Rmeas	0.163	0.797
Rpim	0.061	0.297
Total number of observations	340700	47134
Number of reflections	48285	6980
<I/σ(I)>	8	2.8
Completeness [%]	98.6
Redundancy	7.1	6.8
CC(1/2)	0.995	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.2 M Potassium sodium tartrate 20% (w/v) PEG3350