1KDR

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-10-03
Detector	MARRESEARCH
Wavelength(s)	0.968
Spacegroup name	P 21 21 21
Unit cell lengths	73.585, 73.772, 77.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.250
R-factor	0.199 *
Rwork	0.199
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cmk
RMSD bond length	0.005
RMSD bond angle	1.260
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]	15.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.083 *	0.274 *
Total number of observations	196124 *
Number of reflections	19192 *
<I/σ(I)>	14	4.25
Completeness [%]	93.6	94.9
Redundancy	10.2

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