4JL2
Crystal structure of a bacterial fucosidase with a monovalent iminocyclitol inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.520, 95.350, 97.160 |
| Unit cell angles | 90.00, 90.13, 90.00 |
Refinement procedure
| Resolution | 97.160 - 1.700 |
| R-factor | 0.1248 |
| Rwork | 0.122 |
| R-free | 0.16690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j27 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.337 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 97.160 | 30.666 | 1.790 |
| High resolution limit [Å] | 1.566 | 5.380 | 1.700 |
| Rmerge | 0.033 | 0.541 | |
| Total number of observations | 16405 | 74271 | |
| Number of reflections | 135078 | ||
| <I/σ(I)> | 9.7 | 17.4 | 1.4 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.5 | 90% dilution of 0.11M AS, 15% PEG6K, 0.1M imidazole pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291.5K |
