8ECW
Co-crystal structure of Chaetomium glucosidase with compound 11
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-10-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 136.304, 178.680, 179.666 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.770 - 2.250 |
| R-factor | 0.1919 |
| Rwork | 0.190 |
| R-free | 0.23850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7t6w |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.583 |
| Data reduction software | HKL-2000 (v717.1) |
| Data scaling software | HKL-2000 (v717.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.770 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.091 | 0.740 |
| Rpim | 0.032 | 0.252 |
| Number of reflections | 103165 | 9732 |
| <I/σ(I)> | 12.33 | 2.11 |
| Completeness [%] | 97.7 | 95.09 |
| Redundancy | 8.8 | 9.1 |
| CC(1/2) | 0.996 | 0.852 |
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 |
