1MSV

The S68A S-adenosylmethionine decarboxylase proenzyme processing mutant.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2001-03-23
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93
Spacegroup name	P 1 21 1
Unit cell lengths	73.936, 56.382, 99.190
Unit cell angles	90.00, 110.97, 90.00

Refinement procedure

Resolution	99.000 * - 1.750
R-factor	0.21
Rwork	0.210
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i76
RMSD bond length	0.006
RMSD bond angle	1.250 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.117 *	0.280 *
Total number of observations	551036 *
Number of reflections	82984 *	11752 *
<I/σ(I)>	3.9	1.8
Completeness [%]	98.7	96.3
Redundancy	6.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	4 *	PEG 8000, tris[hydroxymethyl]aminomethane, dithiothreitol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	14-16 (%(w/w))
3	1	reservoir	Tris-HCl	100 (mM)	pH8.0
4	1	reservoir	dithiothreitol	10 (mM)