2PCE
Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM
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 | 2007-03-17 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 168.688, 174.413, 108.586 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.25000 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.603 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 121.270 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.173 | 0.821 |
| Number of reflections | 209553 | |
| <I/σ(I)> | 15.6 | 2.3 |
| Completeness [%] | 97.7 | 91.6 |
| Redundancy | 11.8 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 294 | 100mM Hepes pH 7.5, 25% PEG 3350, VAPOR DIFFUSION, temperature 294K |
