8EKN
Co-crystal structure of Chaetomium glucosidase with compound 15
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9794 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 135.875, 179.332, 179.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.830 - 2.290 |
| R-factor | 0.1905 |
| Rwork | 0.188 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7t6w |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.743 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.830 | 2.375 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.110 | 0.920 |
| Rpim | 0.039 | 0.336 |
| Number of reflections | 97615 | 9205 |
| <I/σ(I)> | 9.75 | 1.61 |
| Completeness [%] | 99.4 | 94.6 |
| Redundancy | 8.9 | 8.4 |
| CC(1/2) | 0.998 | 0.797 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 0.1 Bis Tris pH 6.5, 1.6-2.0 M Ammonium sulfate |
