2GGE
Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme from Bacillus Subtilis complexed with MG++ at 1.8 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 112.417, 110.654, 129.308 |
| Unit cell angles | 90.00, 105.77, 90.00 |
Refinement procedure
| Resolution | 27.950 - 1.890 |
| R-factor | 0.192 |
| Rwork | 0.189 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1muc |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.870 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.948 | 1.980 |
| High resolution limit [Å] | 1.884 | 1.880 |
| Rmerge | 0.127 | 0.016 |
| Total number of observations | 68827 | |
| Number of reflections | 213305 | 24866 |
| <I/σ(I)> | 5 | 0.4 |
| Completeness [%] | 86.8 | 69.6 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 100mM Bis-Tris, pH 5.5, 15% PEG 3350, 200mM Magnesium Chloride, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
