1E6C

K15M MUTANT OF SHIKIMATE KINASE FROM ERWINIA CHRYSANTHEMI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1998-02-15
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	42.860, 106.940, 42.750
Unit cell angles	90.00, 119.96, 90.00

Refinement procedure

Resolution	25.000 - 1.800
R-factor	0.188 *
Rwork	0.188
R-free	0.22700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1shk
RMSD bond length	0.015
RMSD bond angle	0.038
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.400	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.078	0.348
Total number of observations	164162 *
Number of reflections	27407
<I/σ(I)>	15	1.9
Completeness [%]	93.0	69 *
Redundancy	5.3	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5 *		10% PEG8000, 100MM TRIS/HCL BUFFER PH 8.0, 2.5MM ADP, 2.5MM SHIKIMATE, 10MM MGCL2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8-10 (mg/ml)
2	1	reservoir	PEG8000	10 (%)
3	1	reservoir	Tris-HCl	100 (mM)