1GX1

Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-15
Detector	MARRESEARCH
Wavelength(s)	0.9184,0.9786,0.9788
Spacegroup name	P 21 21 2
Unit cell lengths	54.202, 114.848, 87.748
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.18 *
Rwork	0.184
R-free	0.21300 *
Structure solution method	MAD
RMSD bond length	0.018 *
RMSD bond angle	1.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.067 *	0.320 *
Total number of observations	193317 *
Number of reflections	50289 *
<I/σ(I)>	12.6	1.7
Completeness [%]	97.4 *	89.5 *
Redundancy	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.7 *		10-20% PEG 2000 MONOETHYL ETHER, 0.1M AMMONIUM SULPHATE, 0.1M SODIUM ACETATE, pH 4.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop		50 (mM)
3	1	drop	Tris-HCl	50 (mM)	pH7.7
4	1	reservoir	PEG2000	10-20 (%)
5	1	reservoir	ammonium sulfate	0.1 (M)
6	1	reservoir	sodium acetate	0.1 (M)	pH4.4-5.0