1KOF

Crystal structure of gluconate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-20
Detector	BRUKER SMART 1000
Wavelength(s)	1.093
Spacegroup name	P 1 21 1
Unit cell lengths	42.740, 88.410, 51.480
Unit cell angles	90.00, 105.76, 90.00

Refinement procedure

Resolution	25.000 - 2.800
R-factor	0.255 *
Rwork	0.252
R-free	0.31500 *
RMSD bond length	0.020
RMSD bond angle	2.160 *
Data reduction software	MOSFLM
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 *	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.110 *	0.371 *
Total number of observations	36702 *
Number of reflections	9047
<I/σ(I)>	4.5
Completeness [%]	99.7	99.7
Redundancy	4.1

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