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 |