8AWK
Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-12-08 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.979499 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.277, 76.465, 68.469 |
| Unit cell angles | 90.00, 102.05, 90.00 |
Refinement procedure
| Resolution | 52.158 - 1.580 |
| Rwork | 0.151 |
| R-free | 0.18490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6tn1 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.551 |
| 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] | 52.158 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.143 | 1.569 |
| Number of reflections | 73542 | 22723 |
| <I/σ(I)> | 8.8 | 1.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.998 | 0.563 |
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 |
