1CKE

CMP KINASE FROM ESCHERICHIA COLI FREE ENZYME STRUCTURE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1996-10-07
Detector	MARRESEARCH
Spacegroup name	P 63
Unit cell lengths	82.721, 82.721, 61.077
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 - 1.750
R-factor	0.205
Rwork	0.205
R-free	0.25900
Structure solution method	SIRAS
RMSD bond length	0.018
RMSD bond angle	23.640 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	X-PLOR (3.84)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.060 *	0.395 *
Total number of observations	185661 *
Number of reflections	23804
<I/σ(I)>	22.9	3.6
Completeness [%]	98.8	99.6
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4	20 *	pH 7.4

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	50 (mM)	pH7.4
2	1	reservoir	ammonium sulfate