2XUC
Natural product-guided discovery of a fungal chitinase inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 287 |
| Spacegroup name | P 32 |
| Unit cell lengths | 100.039, 100.039, 111.156 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 86.640 - 2.300 |
| R-factor | 0.23345 |
| Rwork | 0.233 |
| R-free | 0.27749 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.801 |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.010 |
| High resolution limit [Å] | 2.300 |
| Rmerge | 0.110 |
| Number of reflections | 55123 |
| <I/σ(I)> | 12.4 |
| Completeness [%] | 99.9 |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
