3EEZ
Crystal structure of a putative mandelate racemase/muconate lactonizing enzyme from Silicibacter pomeroyi
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 | 2008-03-08 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 4 2 2 |
| Unit cell lengths | 110.626, 110.626, 120.272 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.800 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qdd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.574 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.686 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.181 | 0.568 |
| Total number of observations | 21607 | |
| Number of reflections | 17526 | |
| <I/σ(I)> | 10.9 | 2.8 |
| Completeness [%] | 93.3 | 94.9 |
| Redundancy | 8.5 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 20% PEG 3350, 200mM lithium nitrate, pH 7.0, VAPOR DIFFUSION, temperature 294K |
