4WH1

N-Acetylhexosamine 1-kinase (ligand free)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-15
Detector	ADSC QUANTUM 270
Wavelength(s)	0.98000
Spacegroup name	P 21 21 21
Unit cell lengths	43.164, 88.136, 105.231
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.648 - 2.050
R-factor	0.2104
Rwork	0.207
R-free	0.25060
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.967
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.079	0.473
Number of reflections	25915
<I/σ(I)>	28.8	4.5
Completeness [%]	98.2	99.6
Redundancy	6.8	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG 8000, magnesium acetate, sodium cacodylate