1QHA

HUMAN HEXOKINASE TYPE I COMPLEXED WITH ATP ANALOGUE AMP-PNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	100
Detector technology	CCD
Collection date	1999-02
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	83.590, 176.170, 86.760
Unit cell angles	90.00, 90.53, 90.00

Refinement procedure

Resolution	12.000 - 2.250
R-factor	0.208 *
Rwork	0.208
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hkb
RMSD bond length	0.012
RMSD bond angle	0.037
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.300
High resolution limit [Å]	2.250	2.250
Rmerge	0.050
Total number of observations	405442 *
Number of reflections	102729
<I/σ(I)>	8	6.8
Completeness [%]	86.6
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.5 *	4 *	drop contained 0.004ml solutionA, 0.001ml reservoir solution and 0.001ml solutionB. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	15 (%(w/v))
10	1	drop		40 (mM)	solutionA
11	1	drop	G6P	1.5 (mM)	solutionA
12	1	drop	AMP-PNP	60 (mM)	solutionB
2	1	reservoir	magnesium acetate	200 (mM)
3	1	reservoir	sodium acetate	100 (mM)
4	1	reservoir	glycerol	10 (%(v/v))
5	1	reservoir	beta-mercaptoethanol	3 (mM)
6	1	drop	protein	15 (mg/ml)	solutionA
7	1	drop	glucose	10 (mM)	solutionA
8	1	drop	beta-mercaptoethanol	3 (mM)	solutionA
9	1	drop	glycerol	9 (%(v/v))	solutionA