8F9L
Intramolecular ester bond-containing repeat domain from Gemella massiliensis adhesin
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 | 2022-08-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.95374 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.164, 63.037, 96.488 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.643 - 1.788 |
Rwork | 0.231 |
R-free | 0.26500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.956 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.240 | 1.820 |
High resolution limit [Å] | 1.780 | 1.780 |
Number of reflections | 27465 | 1395 |
<I/σ(I)> | 9.7 | 0.6 |
Completeness [%] | 99.5 | 91.2 |
Redundancy | 13.2 | 11.7 |
CC(1/2) | 0.999 | 0.449 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2 M NaCl, 0.1 M Tris.HCl pH 8.0, 20% PEG 6000 |