4WH2

N-acetylhexosamine 1-kinase in complex with ADP

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	44.079, 88.220, 105.895
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.399 - 1.847
R-factor	0.1968
Rwork	0.194
R-free	0.24200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.016
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.847	1.850
Rmerge	0.080	0.507
Number of reflections	36058
<I/σ(I)>	27.8	3.7
Completeness [%]	99.8	100
Redundancy	7.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	PEG8000, magnesium acetate, sodium cacodylate