1INJ

CRYSTAL STRUCTURE OF THE APO FORM OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHETASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-06
Detector	ADSC QUANTUM 4
Wavelength(s)	1.08
Spacegroup name	C 1 2 1
Unit cell lengths	130.297, 47.328, 38.146
Unit cell angles	90.00, 94.18, 90.00

Refinement procedure

Resolution	33.930 - 1.550
R-factor	0.245
Rwork	0.245
R-free	0.26500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1i52
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.026 *	0.268
Number of reflections	30652
<I/σ(I)>	32.7
Completeness [%]	90.3	51.8
Redundancy	3.2	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	4 *	PEG 8000, CALCIUM ACETATE, MAGNESIUM CHLORIDE, DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	35 (mg/ml)
2	1	reservoir	PEG8000	10 (%(w/v))
3	1	reservoir	calcium acetate	0.2 (M)
4	1	reservoir	dithiothreitol	2 (mM)
5	1	reservoir	PIPES	0.1 (M)
6	1	reservoir	ethylene glycol	19 (%(v/v))