8AWR
Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride
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 | 2020-06-23 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976230 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.111, 76.480, 68.147 |
| Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
| Resolution | 51.960 - 1.490 |
| Rwork | 0.183 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8awk |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.215 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.960 | 1.520 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmerge | 0.104 | 1.673 |
| Number of reflections | 85933 | 4181 |
| <I/σ(I)> | 8.6 | 0.9 |
| Completeness [%] | 98.9 | |
| Redundancy | 6.7 | |
| CC(1/2) | 0.997 | 0.608 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.2 M Na2SO4, 14% (v/v) PEG3350, 0.25M HEPES, pH 7.0 |
