6Z39
Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY functionalised epoxide 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 | 2015-12-03 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976300 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 111.172, 285.622, 91.564 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 103.816 - 1.700 |
| Rwork | 0.163 |
| R-free | 0.18050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nt0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.434 |
| 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] | 103.820 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.090 | 0.973 |
| Rpim | 0.040 | 0.445 |
| Number of reflections | 159511 | 7828 |
| <I/σ(I)> | 13.3 | 2 |
| Completeness [%] | 100.0 | |
| Redundancy | 6 | |
| CC(1/2) | 0.999 | 0.761 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.95 M (NH3)2SO4, 0.17 M guanidine HCl, 0.02 M KCl, 0.1 M sodium acetate pH 4.6 |
