7UC3
Intramolecular ester bond-containing repeat domain from G. bergeri adhesin
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97780 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.542, 46.647, 48.536 |
| Unit cell angles | 90.00, 90.59, 90.00 |
Refinement procedure
| Resolution | 48.533 - 1.442 |
| Rwork | 0.168 |
| R-free | 0.22260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ni6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.272 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.533 | 1.480 |
| High resolution limit [Å] | 1.442 | 1.450 |
| Rmerge | 0.067 | |
| Rmeas | 0.068 | |
| Rpim | 0.013 | 0.354 |
| Number of reflections | 24975 | 713 |
| <I/σ(I)> | 22 | |
| Completeness [%] | 96.8 | 58.4 |
| Redundancy | 26.5 | 16.7 |
| CC(1/2) | 1.000 | 0.479 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291.15 | 0.2 M NaCl, 0.1 M Bis-Tris Cl, and 25% PEG 3350 |
