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 |