4JL1
Crystal structure of a bacterial fucosidase with a multivalent 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 | 68.378, 96.047, 97.204 |
| Unit cell angles | 90.00, 91.29, 90.00 |
Refinement procedure
| Resolution | 48.707 - 1.680 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j27 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.705 |
| 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] | 48.707 | 48.707 | 1.770 |
| High resolution limit [Å] | 1.680 | 5.310 | 1.680 |
| Rmerge | 0.053 | 0.501 | |
| Total number of observations | 14830 | 64370 | |
| Number of reflections | 141254 | ||
| <I/σ(I)> | 6.6 | 8.6 | 1.5 |
| Completeness [%] | 99.0 | 98.5 | 99.6 |
| Redundancy | 3.2 | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.5 | 85% dilution of (0.13M AS, 15% PEG6K, 0.1M imidazole pH 7), VAPOR DIFFUSION, HANGING DROP, temperature 291.5K |
