1ON3

Transcarboxylase 12S crystal structure: hexamer assembly and substrate binding to a multienzyme core (with methylmalonyl-coenzyme a and methylmalonic acid bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9B
Synchrotron site	NSLS
Beamline	X9B
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2002-04-25
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.04
Spacegroup name	C 1 2 1
Unit cell lengths	114.805, 200.708, 146.347
Unit cell angles	90.00, 102.43, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.168
Rwork	0.168
R-free	0.21300
Structure solution method	MIR
RMSD bond length	0.008
RMSD bond angle	1.410 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.057 *	0.268 *
Number of reflections	240569
<I/σ(I)>	3.59	3.6
Completeness [%]	95.4	97.4
Redundancy	2.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.5	293	MPD, sodium acetate, cadmium chloride, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	19-25 (%)
2	1	reservoir	sodium acetate	0.1 (M)	pH4.5