6Q28

Metal ROK rebel: Characterisation of N-acetylmannosamine kinase from the pathogen 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	2018-02-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	47.880, 101.968, 133.275
Unit cell angles	90.00, 90.14, 90.00

Refinement procedure

Resolution	47.880 - 2.200
R-factor	0.2101
Rwork	0.208
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.880	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	64898	6477
<I/σ(I)>	5.3
Completeness [%]	99.8
Redundancy	3.9
CC(1/2)	0.881	0.701

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, 8% w/v poly-gamma-glutamic acid