1JUY

REFINED CRYSTAL STRUCTURE OF ADENYLOSUCCINATE SYNTHETASE FROM ESCHERICHIA COLI COMPLEXED WITH HYDANTOCIDIN 5'-PHOSPHATE GDP, HPO4(2-), MG2+, AND HADACIDIN

Experimental procedure

Detector technology	AREA DETECTOR
Collection date	1996-07-04
Detector	SIEMENS-NICOLET X100
Spacegroup name	P 32 2 1
Unit cell lengths	80.400, 80.400, 158.410
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	5.000 - 2.600 *
R-factor	0.195
Rwork	0.195
R-free	0.25000
RMSD bond length	0.012
RMSD bond angle	24.900 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.600 *	2.600 *
Rmerge	0.094
Total number of observations	181667 *
Number of reflections	22503
Completeness [%]	99.0	93 *
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	imidazole	25 (mM)
10	1	reservoir	PEG8000	13 (%(w/w))
11	1	reservoir	cacodylic acid	100 (mM)
12	1	reservoir	magnesium acetate	200 (mM)
2	1	drop	succinate	37.5 (mM)
3	1	drop	GDP	2 (mM)
4	1	drop	phosphate	2 (mM)
5	1	drop	hydantocidin 5'-phosphate	0.2 (mM)
6	1	drop	protein	10 (mg/ml)
7	1	drop	PEG8000	6.5 (%(w/w))
8	1	drop	cacodylic acid	50 (mM)
9	1	drop	magnesium acetate	100 (mM)