2HLZ

Crystal Structure of human ketohexokinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-18
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97625
Spacegroup name	P 1
Unit cell lengths	66.933, 71.672, 82.694
Unit cell angles	105.06, 107.33, 93.09

Refinement procedure

Resolution	29.656 - 1.850
Rwork	0.214
R-free	0.24900
Structure solution method	SAS
RMSD bond length	0.016
RMSD bond angle	1.382
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.10)
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.920
High resolution limit [Å]	1.850	3.980	1.850
Rmerge	0.077	0.036	0.438
Number of reflections	113793	11882	9185
<I/σ(I)>	10
Completeness [%]	95.2
Redundancy	3.8	3.9	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	17% PEG8000, 5mM Cobalt Chloride, 200mM ammonium sulfate, 100mM NaCitrate, pH 4.2, vapor diffusion, sitting drop, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	17% PEG8000, 5mM Cobalt Chloride, 200mM ammonium sulfate, 100mM NaCitrate, pH 4.2, vapor diffusion, sitting drop, temperature 291K