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 |