1JC5

Crystal Structure of Native Methylmalonyl-CoA Epimerase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1998-12-10
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	55.985, 114.020, 156.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.980 - 2.200
R-factor	0.248 *
Rwork	0.248
R-free	0.29300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	14.980	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.043	0.143
Total number of observations	201176 *
Number of reflections	50033
<I/σ(I)>	31.6
Completeness [%]	97.8 *	85.8 *
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.9	18 *	PEG 2000 (MME), sodium acetate, ammonium sulfate, pH 4.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	0.2 (M)
2	1	reservoir	sodium acetate	0.1 (M)
3	1	reservoir	PEG2000MME