8EUX
Co-crystal structure of Chaetomium glucosidase with compound 28
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 136.929, 178.571, 180.308 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.890 - 2.800 |
R-factor | 0.1779 |
Rwork | 0.175 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7t6w |
RMSD bond length | 0.006 |
RMSD bond angle | 1.560 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.890 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.153 | 1.250 |
Rpim | 0.063 | 0.520 |
Number of reflections | 54428 | 5306 |
<I/σ(I)> | 7.97 | 1.12 |
Completeness [%] | 99.7 | 98.15 |
Redundancy | 6.8 | 6.7 |
CC(1/2) | 0.993 | 0.635 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 0.1 M Bis Tris pH 6.5, 1.6-2.0 M Ammonium sulfate |