1KO1

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	IMAGE PLATE
Collection date	1998-11-27
Detector	MARRESEARCH
Wavelength(s)	1.282
Spacegroup name	C 1 2 1
Unit cell lengths	74.556, 79.167, 70.091
Unit cell angles	90.00, 105.20, 90.00

Refinement procedure

Resolution	25.000 - 2.100 *
R-factor	0.218 *
Rwork	0.218
R-free	0.28000 *
RMSD bond length	0.011
RMSD bond angle	1.430
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 *	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.060 *	0.192
Total number of observations	76408 *
Number of reflections	22646
<I/σ(I)>	19.6	3.9
Completeness [%]	97.9	76.1
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	277	PEG 6000, 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)	mM
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