3MY9
Crystal structure of a muconate cycloisomerase from Azorhizobium caulinodans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 127.993, 127.993, 98.036 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.205 |
| Rwork | 0.202 |
| R-free | 0.25400 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.381 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.097 | 0.553 |
| Number of reflections | 20957 | |
| <I/σ(I)> | 14.2 | 3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 19.5 | 19.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 294 | 100mM Bis-Tris pH 5.5, 300mM magnesium formate dihydrate, vapor diffusion, temperature 294K |
