1I7B

HUMAN S-ADENOSYLMETHIONINE DECARBOXYLASE WITH COVALENTLY BOUND PYRUVOYL GROUP AND COVALENTLY BOUND S-ADENOSYLMETHIONINE METHYL ESTER

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	2000-05-26
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	99.964, 51.242, 68.509
Unit cell angles	90.00, 105.37, 90.00

Refinement procedure

Resolution	27.220 - 1.900
R-factor	0.204 *
Rwork	0.204
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.300
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]	100.000	2.010
High resolution limit [Å]	1.900	1.900
Rmerge	0.081	0.309
Total number of observations	94520 *
Number of reflections	26560
<I/σ(I)>	7.6	2.2
Completeness [%]	99.6	99.8
Redundancy	3.5	3.6

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)