1F1H

CRYSTAL STRUCTURE OF GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM WITH THALLIUM IONS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-03-31
Detector	RIGAKU RAXIS IV
Spacegroup name	C 1 2 1
Unit cell lengths	231.130, 132.790, 196.780
Unit cell angles	90.00, 102.44, 90.00

Refinement procedure

Resolution	32.000 - 2.670
R-factor	0.232
Rwork	0.232
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMEN
RMSD bond length	0.010
RMSD bond angle	25.070 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	2.800
High resolution limit [Å]	2.670	2.670
Rmerge	0.130	0.430
Number of reflections	130547 *
<I/σ(I)>	7.8
Completeness [%]	82.0	55
Redundancy	2	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		ADP, MPD, SPERMINE, MANGANESE CHLORIDE, IMIDAZOLE BUFFER, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	imidazole/HCl	15 (mM)
2	1	1		3 (mM)
3	1	1	spermine tetrahydrochloride	3 (mM)
4	1	1	MPD	10 (%)