1KNQ

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
Detector	MARRESEARCH
Wavelength(s)	0.995
Spacegroup name	P 21 21 21
Unit cell lengths	51.951, 79.294, 89.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.800 - 2.000
R-factor	0.21 *
Rwork	0.209
R-free	0.25700 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009 *
RMSD bond angle	1.370 *
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	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.054 *	0.271
Total number of observations	135276 *
Number of reflections	25758
<I/σ(I)>	12.6	4.4
Completeness [%]	99.8	98.4
Redundancy	5.3

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