6YTP
Structure of recombinant human beta-glucocerebrosidase in complex with azide tagged cyclophellitol epoxide inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-19 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979490 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 108.890, 285.769, 91.674 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.202 - 1.700 |
| Rwork | 0.186 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nt0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.428 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.202 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.077 | 1.614 |
| Rpim | 0.036 | 0.741 |
| Number of reflections | 156446 | 7654 |
| <I/σ(I)> | 12.1 | 1.1 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.5 | 5.7 |
| CC(1/2) | 0.999 | 0.538 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 1 M (NH3)2SO4, 0.17 M guanidine HCl, 0.02 M KCl, 0.1 M sodium acetate pH 4.6 |
