8QYE
Catalytic core of endo-alpha-N-acetylgalactosaminidase from Bifidobacterium longum (EngBF) concieved by deep network hallucination: dEngBF4
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 21 21 21 |
| Unit cell lengths | 35.870, 70.490, 197.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.350 - 2.050 |
| R-factor | 0.2307 |
| Rwork | 0.229 |
| R-free | 0.27300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.545 |
| Data reduction software | autoPROC |
| Data scaling software | XSCALE |
| Phasing software | MoRDa |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.380 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 32254 | 2194 |
| <I/σ(I)> | 13.42 | |
| Completeness [%] | 92.7 | |
| Redundancy | 4.4 | |
| CC(1/2) | 0.990 | 0.530 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.15 M ammonium nitrate, 20% (v/v) PEG SM, 5% (w/v) ethylene glycol and 0.1 M MES pH 6.0 |
