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 |