8E3P
Co-crystal structure of Chaetomium glucosidase with compound 5
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 | 137.353, 178.943, 180.474 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.960 - 2.300 |
R-factor | 0.1975 |
Rwork | 0.195 |
R-free | 0.24290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7t6w |
RMSD bond length | 0.006 |
RMSD bond angle | 1.500 |
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] | 46.960 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.086 | 0.837 |
Rpim | 0.030 | 0.291 |
Number of reflections | 98412 | 9240 |
<I/σ(I)> | 12.43 | 1.77 |
Completeness [%] | 98.1 | 94.89 |
Redundancy | 8.8 | 9.1 |
CC(1/2) | 0.995 | 0.851 |
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 |