1G5R

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1998-12-01
Detector	APS-1
Wavelength(s)	0.94290, 0.97939, 0.97960, 1.0205
Spacegroup name	P 65 2 2
Unit cell lengths	49.400, 49.400, 249.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.178
Rwork	0.178
R-free	0.24700
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	16.600 *
Data reduction software	d*TREK
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.082	0.177
Number of reflections	10494	698 *
<I/σ(I)>	35.9
Completeness [%]	91.0	63.2 *
Redundancy	6	2.5

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 278K

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)