6YTR
Structure of recombinant human beta-glucocerebrosidase in complex with 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 | 2021-03-04 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.155, 156.779, 68.230 |
| Unit cell angles | 90.00, 102.12, 90.00 |
Refinement procedure
| Resolution | 66.799 - 1.700 |
| Rwork | 0.159 |
| R-free | 0.20260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nt0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.591 |
| 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] | 66.799 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.159 | 1.830 |
| Rpim | 0.064 | 1.070 |
| Number of reflections | 119361 | 5867 |
| <I/σ(I)> | 6.3 | 1 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.6 | |
| CC(1/2) | 0.994 | 0.547 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M Na2SO4, 14% (v/v) PEG3350, 0.25 M HEPES pH 7.0 |
