4JFU
Crystal structure of a bacterial fucosidase with iminosugar 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) | 0.97630 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.030, 95.400, 96.930 |
| Unit cell angles | 90.00, 90.83, 90.00 |
Refinement procedure
| Resolution | 55.385 - 1.660 |
| R-factor | 0.1534 |
| Rwork | 0.152 |
| R-free | 0.17750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j27 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.549 |
| Data reduction software | MOSFLM |
| 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] | 55.385 | 56.061 | 1.750 |
| High resolution limit [Å] | 1.659 | 5.250 | 1.660 |
| Rmerge | 0.027 | 0.161 | |
| Total number of observations | 14130 | 60208 | |
| Number of reflections | 145075 | ||
| <I/σ(I)> | 10.7 | 13.7 | 4.5 |
| Completeness [%] | 99.3 | 99.7 | 99.1 |
| Redundancy | 2.9 | 3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.5 | 0.16 M ammonium sulfate, 20% PEG 6K, 0.1M imidazole pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291.5K |
