1JC4

Crystal Structure of Se-Met 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	2000-02-10
Detector	MARRESEARCH
Wavelength(s)	1.08
Spacegroup name	P 1 21 1
Unit cell lengths	43.600, 78.620, 89.430
Unit cell angles	90.00, 91.95, 90.00

Refinement procedure

Resolution	19.850 - 2.000
R-factor	0.228 *
Rwork	0.228
R-free	0.26100
Structure solution method	MAD
RMSD bond length	0.015 *
RMSD bond angle	1.200
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.850	2.130
High resolution limit [Å]	1.990	2.000
Rmerge	0.062	0.354 *
Total number of observations	204757 *
Number of reflections	39229
<I/σ(I)>	25
Completeness [%]	99.4	96.1 *
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	18 *	PEG 2000 (MME), sodium acetate, ammonium sulfate, pH 4.2, 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