1OJ4

Ternary complex of 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-15
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	61.000, 76.300, 68.600
Unit cell angles	90.00, 107.80, 90.00

Refinement procedure

Resolution	65.940 - 2.000 *
R-factor	0.1674
Rwork	0.166
R-free	0.20200 *
Structure solution method	OTHER
RMSD bond length	0.010 *
RMSD bond angle	1.330 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	SOLVE/RESOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.048	0.015 *
Total number of observations	364197 *
Number of reflections	39761
<I/σ(I)>	12.89	5.6
Completeness [%]	94.3	92.3
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *		20 % POLYETHYLENE GLYCOL 8000 0.2 M MAGNESUIM ACTETATE, 0.1M SODIUM CACODYLATE PH 6.5 20MM SULFOBETAIN

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	20 (%)
2	1	reservoir	magnesium acetate	0.2 (M)
3	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5
4	1	reservoir	sulfo-betaine	0.25 (M)
5	1	drop	Tris-HCl	50 (mM)	pH8.5
6	1	drop		50 (mM)
7	1	drop	protein	25 (mg/ml)