6YV3
Structure of recombinant human beta-glucocerebrosidase in complex with galacto-configured 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 | 2016-04-18 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.979500 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 110.556, 285.273, 91.830 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 72.197 - 1.800 |
Rwork | 0.175 |
R-free | 0.20320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2nt0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.443 |
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] | 72.197 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.116 | 1.364 |
Rpim | 0.052 | 0.848 |
Number of reflections | 134042 | 6543 |
<I/σ(I)> | 10.9 | 1.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.9 | 5.8 |
CC(1/2) | 0.998 | 0.590 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1 M (NH3)2SO4, 0.17 M guanidine HCl, 0.02 M KCl, 0.1 M sodium acetate pH 4.8 |