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 |