1PIX

Crystal structure of the carboxyltransferase subunit of the bacterial ion pump glutaconyl-coenzyme A decarboxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	1.0500
Spacegroup name	P 41 21 2
Unit cell lengths	151.869, 151.869, 163.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
Rwork	0.201
R-free	0.22700
Structure solution method	MAD
RMSD bond length	0.010 *
RMSD bond angle	1.374 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.210
High resolution limit [Å]	2.200	2.200
Rmerge	0.069	0.069
Number of reflections	95460
<I/σ(I)>		13.7
Completeness [%]	99.1 *	98.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	298	acetate buffer, sodium formate, pH 4.7, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		500 (mM)
2	1	drop	phosphate	150 (mM)	pH7.5
3	1	reservoir	Tris-HCl	3 (mM)	pH7.0
4	1	reservoir	ammonium sulfate	500 (mM)