1KOR

Crystal Structure of Thermus thermophilus HB8 Argininosuccinate Synthetase in complex with inhibitors

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-16
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	H 3
Unit cell lengths	229.430, 229.430, 160.550
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.950
R-factor	0.2319 *
Rwork	0.230
R-free	0.25530 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.350 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.950	1.950
Rmerge	0.044 *	0.264 *
Total number of observations	979957 *
Number of reflections	227309 *
Completeness [%]	99.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	tris, ammonium sulfate, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	reservoir	ammonium sulfate	2.4 (M)
3	1	reservoir	glycerol	30 (%(v/v))
4	1	reservoir	Tris-HCl	100 (mM)	pH8.5
5	1	reservoir	AMP-PNP	10 (mM)
6	1	reservoir		10 (mM)
7	1	reservoir	L-Arg	100 (mM)
8	1	reservoir	succinate	100 (mM)