1SHK

THE THREE-DIMENSIONAL STRUCTURE OF SHIKIMATE KINASE FROM ERWINIA CHRYSANTHEMI

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-01
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	108.500, 108.500, 92.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.174
Rwork	0.176
R-free	0.22200
Structure solution method	MIRAS
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX-90
Refinement software	SHELX-90

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.068	0.940
Number of reflections	44761
<I/σ(I)>	10	1.2
Completeness [%]	99.4	100
Redundancy	6.2	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.6 *		2.16M NACL, 100MM HEPES BUFFER PH 6.9, 5MM ADP, 5MM SHIKIMATE, 10MM MGCL2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)
2	1	drop	ADP	5 (mM)
3	1	drop		10 (mM)
4	1	drop	enzyme	16 (mg/ml)
5	1	reservoir		2.16 (M)
6	1	reservoir	HEPES	100 (mM)