2XII
CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH AN EXTENDED 9-FLUORENONE IMINOSUGAR INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-30 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 104.466, 85.080, 120.210 |
| Unit cell angles | 90.00, 108.52, 90.00 |
Refinement procedure
| Resolution | 45.150 - 1.800 |
| R-factor | 0.18895 |
| Rwork | 0.187 |
| R-free | 0.22308 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wvt |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.363 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.670 |
| Number of reflections | 92257 | |
| <I/σ(I)> | 13.2 | 3.7 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 20% PEG-6000, 0.15M AMMONIUM SULFATE, 0.1M IMIDAZOLE PH 7.0 |
