2RDX
Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM
Replaces: 2QYEExperimental 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 | 2007-06-23 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9796 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 169.415, 169.219, 223.476 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.196 |
| Rwork | 0.194 |
| R-free | 0.25600 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.264 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.108 | 0.660 |
| Number of reflections | 215416 | |
| <I/σ(I)> | 3.6 | 0.6 |
| Completeness [%] | 96.7 | 96 |
| Redundancy | 2.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1M HEPES pH 7.5, 30% PEG MME550, 10% Glycerol, 50mM Magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
