7PA1

Structure of N-acetylglucosamine kinase from Plesiomonas shigelloides in complex with AMP-PNP in the absence of N-acetylglucoseamine substrate

This is a non-PDB format compatible entry.

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	2019-07-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 65
Unit cell lengths	121.265, 121.265, 91.684
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.693 - 2.200
Rwork	0.208
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4db3
RMSD bond length	0.007
RMSD bond angle	1.563
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.630	2.270
High resolution limit [Å]	2.200	2.200
Number of reflections	38637	3361
<I/σ(I)>	5.2
Completeness [%]	99.2
Redundancy	3.3
CC(1/2)	0.964	0.396

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		291	0.09M NPS; 0.1 M Tris/bicine pH 8.5; 30% each PEG 550 MME and PEG 20K, condition C9 from Morpheus crystallisation screen (Molecular Dimensions).