1JY8

2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase (IspF)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-04-02
Detector	MARRESEARCH
Spacegroup name	I 21 3
Unit cell lengths	144.630, 144.630, 144.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 2.500
R-factor	0.201 *
Rwork	0.201
R-free	0.25500
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	22.400 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MLPHARE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.063	0.409
Total number of observations	66701 *
Number of reflections	17106
Completeness [%]	98.1	99.8
Redundancy	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7	293	2 M Na-formate, 0.1 M HEPES/ NaOH, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	10 (mg/ml)
2	1	1	potassium phosphate	20 (mM)	pH7.0
3	1	2	ammonium formate	2.0 (M)
4	1	2	HEPES-NaOH	100 (mM)	pH7.0