1C9K

THE THREE DIMENSIONAL STRUCTURE OF ADENOSYLCOBINAMIDE KINASE/ ADENOSYLCOBINAMIDE PHOSPHATE GUALYLYLTRANSFERASE (COBU) COMPLEXED WITH GMP: EVIDENCE FOR A SUBSTRATE INDUCED TRANSFERASE ACTIVE SITE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	133
Detector technology	CCD
Collection date	1998-01-01
Detector	ADSC QUANTUM 1
Spacegroup name	P 21 21 21
Unit cell lengths	58.380, 87.770, 101.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.191
RMSD bond length	0.011
RMSD bond angle	18.940 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.053	0.227
Number of reflections	26435
<I/σ(I)>	27.5
Completeness [%]	97.3	94.9
Redundancy	5.6	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	9	277	16% PEG 4000 100 MM CACL2 50 MM CHES, pH 9.0, BATCH

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	16 (%(w/v))
2	1	1		100 (mM)
3	1	1	CHES	50 (mM)