1VR7

Crystal structure of S-adenosylmethionine decarboxylase proenzyme (TM0655) from THERMOTOGA MARITIMA at 1.2 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-01-05
Detector	ADSC
Spacegroup name	H 3
Unit cell lengths	105.298, 105.298, 69.427
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.000 - 1.200
R-free	0.15000
RMSD bond length	0.015
RMSD bond angle	0.035
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	SHELX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.240	55.240	1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.055	0.042	0.575
Number of reflections	88939
<I/σ(I)>	7.1	12.8	1.2
Completeness [%]	99.0
Redundancy	3	4.8	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	277	1.0M LiCl, 10.0% PEG-6000, 0.1M TRIS, pH 8.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K