7UI8
Intramolecular ester bond-containing repeat domain from E. columbae adhesin (split and religated)
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 | 2022-03-07 |
| Detector | DECTRIS EIGER2 S 16M |
| Wavelength(s) | 0.95366 |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 120.775, 120.775, 45.444 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.003 - 2.373 |
| Rwork | 0.226 |
| R-free | 0.26140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ni6 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.299 |
| 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] | 45.440 | 2.460 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.187 | |
| Rmeas | 0.193 | |
| Rpim | 0.045 | 0.593 |
| Number of reflections | 8323 | 206 |
| <I/σ(I)> | 12 | 0.9 |
| Completeness [%] | 99.4 | 94.5 |
| Redundancy | 18.6 | 17.6 |
| CC(1/2) | 0.998 | 0.806 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 3.2 M ammonium sulfate, 0.1 M sodium citrate, pH 5.5 |
