2IFX

Crystal structure of a putative 4-methylmuconolactone methylisomerase (YP_295714.1) from Ralstonia eutropha JMP134 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.94926, 0.97925, 0.97939
Spacegroup name	P 43
Unit cell lengths	46.060, 46.060, 124.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.743 - 2.000
R-factor	0.173
Rwork	0.171
R-free	0.20200
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.493
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.743		2.070
High resolution limit [Å]	2.000	3.420	2.000
Rmerge	0.045	0.043	0.328
Number of reflections	17384
<I/σ(I)>	10.34	18.9	2.5
Completeness [%]	94.7	98.4	80

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	6	277	0.2M Ca(OAc)2, 20.0% PEG-8000, 0.1M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K