4J28
Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in complex with a 5-membered iminocyclitol inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-12-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.728, 95.611, 96.988 |
| Unit cell angles | 90.00, 91.21, 90.00 |
Refinement procedure
| Resolution | 29.010 - 1.730 |
| R-factor | 0.1717 |
| Rwork | 0.171 |
| R-free | 0.19350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j27 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.533 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.013 | 29.013 | 1.820 |
| High resolution limit [Å] | 1.730 | 5.470 | 1.730 |
| Rmerge | 0.017 | 0.449 | |
| Total number of observations | 13414 | 56453 | |
| Number of reflections | 128218 | ||
| <I/σ(I)> | 12.8 | 34.9 | 1.7 |
| Completeness [%] | 98.3 | 97.4 | 94.5 |
| Redundancy | 3.2 | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.15 | 10.45% PEG 6K, 0.12M ammonium sulfate, 0.095M imidazole, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K |
