8ZPO

The crystal structures of MurK in complex with N-acetylmuramic acid (MurNAc) 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	52.089, 104.363, 109.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.550 - 1.360
R-factor	0.1847
Rwork	0.184
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.882
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	109.100	1.400
High resolution limit [Å]	1.360	1.360
Rmerge	0.076	0.206
Rmeas	0.080	0.222
Rpim	0.023	0.080
Total number of observations	1481299	57267
Number of reflections	126769	8245
<I/σ(I)>	16.3	5.2
Completeness [%]	98.9
Redundancy	11.7	6.9
CC(1/2)	0.999	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M MES monohydrate pH6.0 14% (w/v) PEG4000