6Q27

N-acetylmannosamine kinase with N-acetylmannosamine from Staphylococcus aureus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	CCD
Collection date	2017-03-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	47.236, 101.353, 133.222
Unit cell angles	90.00, 90.15, 90.00

Refinement procedure

Resolution	44.556 - 2.200
R-factor	0.1977
Rwork	0.194
R-free	0.23170
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.556	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	124343	6331
<I/σ(I)>	4.9
Completeness [%]	99.9
Redundancy	2
CC(1/2)	0.988	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.2 M L-arginine, 0.1 M sodium acetate, pH 5.0 in 8% w/v poly-gamma-glutamic acid