1KO4

Crystal structure of gluconate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-09-16
Detector	MARRESEARCH
Wavelength(s)	0.97830
Spacegroup name	P 21 21 2
Unit cell lengths	70.231, 72.602, 79.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.060 - 2.600 *
R-factor	0.24 *
Rwork	0.240
R-free	0.30400 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.580
High resolution limit [Å]	2.600	2.550
Rmerge	0.063 *	0.158 *
Total number of observations	172188 *
Number of reflections	13617
<I/σ(I)>	27.9	8.4
Completeness [%]	99.3	94.9
Redundancy	12.6

Crystallization Conditions

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