7NWV
Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY Tagged Cyclophellitol activity based probe
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-04 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.956, 158.420, 68.238 |
| Unit cell angles | 90.00, 102.15, 90.00 |
Refinement procedure
| Resolution | 66.800 - 1.860 |
| Rwork | 0.177 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tjk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.570 |
| 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] | 158.420 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.119 | 0.843 |
| Rmeas | 0.129 | 0.913 |
| Number of reflections | 91928 | 32337 |
| <I/σ(I)> | 9.1 | 2 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.996 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M Na2SO4, 14% (v/v) PEG3350, 0.25 M HEPES pH 7.0 |
