6YV3
Structure of recombinant human beta-glucocerebrosidase in complex with galacto-configured cyclophellitol aziridine 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 | 2016-04-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979500 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.556, 285.273, 91.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.197 - 1.800 |
| Rwork | 0.175 |
| R-free | 0.20320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nt0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.443 |
| 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] | 72.197 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.116 | 1.364 |
| Rpim | 0.052 | 0.848 |
| Number of reflections | 134042 | 6543 |
| <I/σ(I)> | 10.9 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.9 | 5.8 |
| CC(1/2) | 0.998 | 0.590 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1 M (NH3)2SO4, 0.17 M guanidine HCl, 0.02 M KCl, 0.1 M sodium acetate pH 4.8 |
