1I72

HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND 5'-DEOXY-5'-[N-METHYL-N-(2-AMINOOXYETHYL) AMINO]ADENOSINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-17
Detector	MARRESEARCH
Wavelength(s)	0.96420
Spacegroup name	C 1 2 1
Unit cell lengths	100.473, 50.833, 68.904
Unit cell angles	90.00, 105.28, 90.00

Refinement procedure

Resolution	28.450 - 2.000
R-factor	0.201 *
Rwork	0.201
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.092	0.227
Total number of observations	310436 *
Number of reflections	23342
<I/σ(I)>	16.3
Completeness [%]	99.2	93
Redundancy	13.2	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	18 *	PEG 8000, Tris-HCl pH 8.0, dithiothreitol, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	10-20 (%(w/w))
2	1	reservoir	Tris-HCl	100 (mM)
3	1	reservoir	dithiothreitol	10 (mM)
4	1	drop	protein	10 (mg/ml)