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 |