1G58

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	93
Detector technology	CCD
Collection date	1999-02-01
Detector	MARRESEARCH
Wavelength(s)	1.02270
Spacegroup name	P 31
Unit cell lengths	78.220, 78.220, 69.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 1.550
Rwork	0.185
R-free	0.23100
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	2.630
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.075	0.320
Total number of observations	486817 *
Number of reflections	72930 *
<I/σ(I)>	26.8	6.5
Completeness [%]	100.0	100
Redundancy	6.7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	sodium formate, HEPES-NaOH, pH 7.0, 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)