8QZK
Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4 Hexagonal form
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-21 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 61 |
Unit cell lengths | 109.541, 109.541, 62.094 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 51.950 - 3.250 |
R-factor | 0.2333 |
Rwork | 0.231 |
R-free | 0.27480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.563 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.950 | 3.340 |
High resolution limit [Å] | 3.250 | 3.250 |
Number of reflections | 14461 | 2640 |
<I/σ(I)> | 8.5 | |
Completeness [%] | 97.7 | |
Redundancy | 2.4 | |
CC(1/2) | 0.990 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 18% (w/v) PEG SM, 10% (w/v) ethylene glycol, 0.10 M MgSO4, and 0.1 M KCl |