8ETO
Co-crystal structure of Chaetomium glucosidase with compound 25
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 | 136.248, 179.088, 180.444 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.920 - 2.300 |
R-factor | 0.1902 |
Rwork | 0.188 |
R-free | 0.23450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7t6w |
RMSD bond length | 0.007 |
RMSD bond angle | 1.637 |
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] | 46.920 | 2.386 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.125 | 1.303 |
Rpim | 0.053 | 0.592 |
Number of reflections | 97213 | 9535 |
<I/σ(I)> | 10.08 | 1.15 |
Completeness [%] | 99.8 | 98.82 |
Redundancy | 6.5 | 5.7 |
CC(1/2) | 0.997 | 0.566 |
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 |