3I6T
Crystal structure of muconate cycloisomerase from Jannaschia sp.
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 | 2009-06-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 4 |
| Unit cell lengths | 134.196, 134.196, 89.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.17 |
| Rwork | 0.169 |
| R-free | 0.20500 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.469 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.318 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.126 | 0.474 |
| Number of reflections | 125172 | |
| <I/σ(I)> | 14.8 | 5.2 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 14 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 294 | 20% PEG 3350, 200mM potassium fluoride, pH 7.0, vapor diffusion, temperature 294K |
