6Q26

N-Acetylmannosamine kinase 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	2016-11-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9724
Spacegroup name	C 2 2 21
Unit cell lengths	116.647, 135.149, 175.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.736 - 2.328
R-factor	0.2017
Rwork	0.197
R-free	0.24000
Structure solution method	SAD
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	SHELXDE
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.736	2.412
High resolution limit [Å]	2.328	2.328
Number of reflections	867330	5864
<I/σ(I)>	20
Completeness [%]	99.9
Redundancy	14.6
CC(1/2)	0.994	0.671

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	Molecular Dimensions JCSG G6: 0.2 M sodium malonate dibasic monohydrate 20% w/v PEG 3350