1KDT

CYTIDINE MONOPHOSPHATE KINASE FROM E.COLI IN COMPLEX WITH 2',3'-DIDEOXY-CYTIDINE MONOPHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-22
Detector	MARRESEARCH
Wavelength(s)	0.933
Spacegroup name	P 21 21 21
Unit cell lengths	72.648, 75.313, 78.037
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.950
R-factor	0.221 *
Rwork	0.221
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cmk
RMSD bond length	0.006
RMSD bond angle	1.190
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.073 *	0.396 *
Total number of observations	503844 *
Number of reflections	32964 *
<I/σ(I)>	9.9	2.61
Completeness [%]	93.0	96.1
Redundancy	15.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	20 *	Ammonium Sulphate, TRIS-HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP at 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	0.4 (M)
2	1	reservoir	Tris-HCl	50 (mM)	pH7.4