1G57

CRYSTAL STRUCTURE OF 3,4-DIHYDROXY-2-BUTANONE 4-PHOSPHATE SYNTHASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	93
Detector technology	CCD
Collection date	1999-02-09
Detector	MARRESEARCH
Wavelength(s)	0.93218
Spacegroup name	P 31
Unit cell lengths	78.187, 78.187, 69.622
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 1.400
Rwork	0.180
R-free	0.22100
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	2.770
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.057	0.194
Total number of observations	1025357 *
Number of reflections	93842 *
<I/σ(I)>	45.7	10.9
Completeness [%]	100.0	100
Redundancy	10.9	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	CsCl, Cs(formate), Bis-Tris-propane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	24 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	reservoir	sodium formate	6 (M)
4	1	reservoir	HEPES-NaOH	25 (mM)