3N75

X-ray Crystal Structure of the Escherichia coli Inducible Lysine Decarboxylase LdcI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-22
Detector	SBC-3
Wavelength(s)	1.254431
Spacegroup name	C 1 2 1
Unit cell lengths	271.760, 181.993, 170.902
Unit cell angles	90.00, 125.41, 90.00

Refinement procedure

Resolution	49.890 - 2.000
R-factor	0.16886
Rwork	0.168
R-free	0.19392
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ord
RMSD bond length	0.016
RMSD bond angle	1.633
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	140.300	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.161	0.327
Number of reflections	454474
<I/σ(I)>	12.6	3.82
Completeness [%]	99.8	99.3
Redundancy	5.44	3.39

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	285	18-28% (v/v) PEG1000, 0.1 M Sodium Chloride, 0.1 M Tris HCl pH 8.5, 0.005 M Tris[2-carboxyethyl] phosphine, 15% (v/v) glycerol. Once crystals formed, they were soaked in mother liquid that had been saturated with hexatantalum dodecabromide for derivatization., VAPOR DIFFUSION, HANGING DROP, temperature 285K
1	VAPOR DIFFUSION, HANGING DROP	8.5	285	18-28% (v/v) PEG1000, 0.1 M Sodium Chloride, 0.1 M Tris HCl pH 8.5, 0.005 M Tris[2-carboxyethyl] phosphine, 15% (v/v) glycerol. Once crystals formed, they were soaked in mother liquid that had been saturated with hexatantalum dodecabromide for derivatization., VAPOR DIFFUSION, HANGING DROP, temperature 285K