4JFS
Crystal structure of a bacterial fucosidase with iminosugar inhibitor 4-epi-(+)-Codonopsinine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-08 |
| Detector | PILATUS 2M |
| Wavelength(s) | 0.91730 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.430, 95.770, 97.111 |
| Unit cell angles | 90.00, 90.81, 90.00 |
Refinement procedure
| Resolution | 97.100 - 2.000 |
| R-factor | 0.1584 |
| Rwork | 0.157 |
| R-free | 0.19210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4j27 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.612 |
| Data reduction software | XDS |
| 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] | 97.101 | 36.273 | 2.110 |
| High resolution limit [Å] | 1.578 | 6.320 | 2.000 |
| Rmerge | 0.030 | 0.450 | |
| Total number of observations | 10810 | 47345 | |
| Number of reflections | 83920 | ||
| <I/σ(I)> | 9.2 | 19.3 | 1.7 |
| Completeness [%] | 99.2 | 99.3 | 99.6 |
| Redundancy | 3.9 | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291.5 | 0.13 M ammonium sulfate, 12% PEG 6K, 0.1M imidazole pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 291.5K |
