7F7R
Enterococcus faecalis GH31 alpha-N-acetylgalactosaminidase D455N in complex with Tn antigen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-14 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.706, 82.973, 148.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.040 - 1.630 |
| Rwork | 0.177 |
| R-free | 0.20040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6m76 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.629 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.068 | 0.961 |
| Rmeas | 0.070 | |
| Rpim | 0.019 | 0.287 |
| Number of reflections | 127951 | 18495 |
| <I/σ(I)> | 23.8 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 12.1 |
| CC(1/2) | 1.000 | 0.809 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% PEG3350, 0.2 M ammonium citrate |
