6Q6K
Crystal structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol activity based probe with Cy5 tag (ME569)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.915870 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 110.613, 285.934, 92.258 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 77.640 - 1.920 |
| R-factor | 0.18685 |
| Rwork | 0.185 |
| R-free | 0.22101 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nt0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.603 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.640 | 1.950 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.190 | |
| Number of reflections | 111507 | 5400 |
| <I/σ(I)> | 5.9 | 1.2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 8.4 | |
| CC(1/2) | 0.707 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | Ammonium sulfate, Gaunidine Hydrochloride, Potassium chloride and Sodium acetate (pH 4.6) |
