1UEK

Crystal structure of 4-(cytidine 5'-diphospho)-2C-methyl-D-erythritol kinase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-10
Detector	MARRESEARCH
Wavelength(s)	0.9709, 0.9794, 0.9799, 0.9822
Spacegroup name	P 21 21 21
Unit cell lengths	48.603, 66.210, 76.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.700
R-factor	0.18419
Rwork	0.182
R-free	0.21800 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.500 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.19)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.072	0.264
Total number of observations	26111 *
Number of reflections	95700
<I/σ(I)>	9.2
Completeness [%]	93.3	71.3 *
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	20 *	sodium acetate, isopropanol, butanol, PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8 *	20 *	sodium acetate, isopropanol, butanol, PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris-HCl	33 (mM)	pH8.5
2	1	reservoir	sodium acetate	67 (mM)
3	1	reservoir	isopropanol	13 (%)
4	1	reservoir	butanol	8 (%)
5	1	reservoir	PEG4000	13 (%)
6	1	drop	Tris-HCl	20 (mM)	pH8.0
7	1	drop		50 (mM)
8	1	drop	protein	2.2 (mg/ml)