5U5O
Bacterial adhesin from Mobiluncus mulieris containing intramolecular disulfide, isopeptide, and ester bond cross-links (space group P1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-25 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95370 |
Spacegroup name | P 1 |
Unit cell lengths | 27.900, 54.983, 57.317 |
Unit cell angles | 67.72, 76.47, 85.35 |
Refinement procedure
Resolution | 19.150 - 1.150 |
R-factor | 0.18289 |
Rwork | 0.181 |
R-free | 0.21054 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in house model |
RMSD bond length | 0.011 |
RMSD bond angle | 1.482 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.150 | 1.170 |
High resolution limit [Å] | 1.150 | 1.150 |
Number of reflections | 102468 | |
<I/σ(I)> | 20.2 | 1 |
Completeness [%] | 94.1 | 90.6 |
Redundancy | 7.9 | 7.9 |
CC(1/2) | 1.000 | 0.549 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 10% (v/v) PEG 8000, 20% (v/v) ethylene glycol, 0.02 M carboxylic acids (sodium formate, ammonium acetate, trisodium citrate, sodium potassium tartrate, sodium oxamate), and 0.1 M MES/Imidazole (pH 6.5). |