4PH8
Crystal structure of AggA, the major subunit of aggregative adherence fimbriae type I (AAF/I) from the Escherichia coli O4H104
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-11 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.954 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.832, 80.172, 91.416 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.840 - 1.550 |
| R-factor | 0.1598 |
| Rwork | 0.156 |
| R-free | 0.23190 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.344 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 91.416 | 47.656 | 1.630 |
| High resolution limit [Å] | 1.550 | 4.900 | 1.550 |
| Rmerge | 0.016 | 0.787 | |
| Rmeas | 0.044 | ||
| Rpim | 0.021 | 0.009 | 0.427 |
| Total number of observations | 170118 | 5110 | 24737 |
| Number of reflections | 40475 | ||
| <I/σ(I)> | 19 | 55 | 2.1 |
| Completeness [%] | 97.2 | 95.1 | 95.8 |
| Redundancy | 4.2 | 3.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 0.2M sodium acetate, 0.1M sodium cacodylate, 30% w/v PEG 8000 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 0.2M sodium acetate, 0.1M sodium cacodylate, 30% w/v PEG 8000 |
