1KDO

CYTIDINE MONOPHOSPHATE KINASE FROM E. COLI IN COMPLEX WITH CYTIDINE MONOPHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-15
Detector	MARRESEARCH
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	74.087, 75.736, 77.988
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.900
R-factor	0.202
Rwork	0.202
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cmk
RMSD bond length	0.004
RMSD bond angle	1.080
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]	20.000	1.990
High resolution limit [Å]	1.900	1.900
Rmerge	0.071 *	0.121 *
Total number of observations	336628 *
Number of reflections	35160 *
<I/σ(I)>	12.7	7.68
Completeness [%]	94.0	96.4
Redundancy	9.6

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