1I7M

HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COMPLEXED WITH 4-AMIDINOINDAN-1-ONE-2'-AMIDINOHYDRAZONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	1998-05-13
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0402
Spacegroup name	P 1 21 1
Unit cell lengths	73.899, 55.672, 96.086
Unit cell angles	90.00, 110.39, 90.00

Refinement procedure

Resolution	29.410 - 2.240
R-factor	0.242 *
Rwork	0.242
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	2.300
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.715	2.390
High resolution limit [Å]	2.240	2.240
Rmerge	0.067	0.196
Total number of observations	86417 *
Number of reflections	34984
<I/σ(I)>	4.3	3.2
Completeness [%]	98.4	98.1
Redundancy	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	4 *	PEG 8000, Tris-HCl pH 8.0, 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	2 (mM)