1G5T

THE THREE-DIMENSIONAL STRUCTURE OF ATP:CORRINOID ADENOSYLTRANSFERASE FROM SALMONELLA TYPHIMURIUM. APO-ATP FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-07-01
Detector	APS-1
Wavelength(s)	0.7009
Spacegroup name	P 65 2 2
Unit cell lengths	49.500, 49.500, 249.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.192
Rwork	0.192
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	16.800 *
Data reduction software	d*TREK
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.061	0.310
Number of reflections	17014	1357 *
<I/σ(I)>	31.6
Completeness [%]	93.3	63
Redundancy	8.3	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	5.5	4 *	13% me-peg 350, 100 mM NaCl, 50 mM MES, pH 5.5, batch, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	methyl ether-polyethylene glycol 350	13 (%)
2	1	1		100 (mM)
3	1	1	MES	50 (mM )
4	1	1	protein	5 (mg/ml)