8E5U
Co-crystal structure of Chaetomium glucosidase with compound 9
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-04 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.033 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 135.934, 179.587, 180.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.910 - 2.330 |
R-factor | 0.1945 |
Rwork | 0.192 |
R-free | 0.24280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7t6w |
RMSD bond length | 0.007 |
RMSD bond angle | 1.559 |
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] | 46.910 | 2.415 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.074 | 0.409 |
Rpim | 0.026 | 0.141 |
Number of reflections | 92304 | 9087 |
<I/σ(I)> | 17.95 | 3.73 |
Completeness [%] | 98.0 | 98.12 |
Redundancy | 8.7 | |
CC(1/2) | 0.994 | 0.961 |
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 |