1KO5

Crystal structure of gluconate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-05-12
Detector	MARRESEARCH
Wavelength(s)	0.845
Spacegroup name	P 1 21 1
Unit cell lengths	43.274, 89.206, 51.479
Unit cell angles	90.00, 105.14, 90.00

Refinement procedure

Resolution	50.000 - 2.300 *
R-factor	0.214 *
Rwork	0.214
R-free	0.27700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.540
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.049 *	0.254 *
Total number of observations	50986 *
Number of reflections	17024
<I/σ(I)>	27.8	5.4
Completeness [%]	96.6	98.6
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	277	PEG6000, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH8.0
3	1	drop		3 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	reservoir	PEG6000	17-20 (%(w/v))
6	1	reservoir		1.4-1.7 (M)
7	1	reservoir	MES	0.1 (M)	pH6.0