1I7C

HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH METHYLGLYOXAL BIS-(GUANYLHYDRAZONE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER
Temperature [K]	291
Detector technology	CCD
Collection date	1998-06-03
Detector	BRUKER
Spacegroup name	C 1 2 1
Unit cell lengths	97.057, 45.499, 72.143
Unit cell angles	90.00, 105.24, 90.00

Refinement procedure

Resolution	40.930 - 2.400
R-factor	0.176 *
Rwork	0.176
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	SMART
Data scaling software	SAINT
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	2.486
High resolution limit [Å]	2.400	2.400
Rmerge	0.065	0.084
Total number of observations	30563 *
Number of reflections	9618
<I/σ(I)>	8.17	2.04
Completeness [%]	79.4	37.8 *
Redundancy	3.9	3.96

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	0.0002 (mM)