8EQ7
Co-crystal structure of Chaetomium glucosidase with compound 20
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 135.937, 178.855, 179.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.810 - 2.210 |
R-factor | 0.1876 |
Rwork | 0.185 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7t6w |
RMSD bond length | 0.008 |
RMSD bond angle | 1.522 |
Data reduction software | HKL-2000 (v717.1) |
Data scaling software | HKL-2000 (v717.1) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.810 | 2.289 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.139 | 1.627 |
Rpim | 0.059 | 0.688 |
Number of reflections | 109324 | 10804 |
<I/σ(I)> | 9.11 | 1.19 |
Completeness [%] | 99.8 | 99.56 |
Redundancy | 6.6 | 6.5 |
CC(1/2) | 0.995 | 0.496 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 0.1 Bis Tris pH 6.5, 1.6-2.0 M Ammonium sulfate |