4WH3

N-acetylhexosamine 1-kinase in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	44.030, 88.471, 105.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.604 - 1.800
R-factor	0.1906
Rwork	0.189
R-free	0.22220
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.067
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.046	0.408
Number of reflections	73240
<I/σ(I)>	43.4	4.6
Completeness [%]	99.0	99.8
Redundancy	7.5	7

Crystallization Conditions

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