4MEE
Crystal structure of the transport unit of the autotransporter AIDA-I from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.330, 85.850, 134.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.670 - 3.000 |
| R-factor | 0.25061 |
| Rwork | 0.248 |
| R-free | 0.30639 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.648 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Rosetta |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.200 |
| High resolution limit [Å] | 3.000 | 4.000 | 3.150 |
| Rmerge | 0.053 | 0.446 | |
| Number of reflections | 9173 | ||
| <I/σ(I)> | 23 | 3.3 | |
| Completeness [%] | 92.3 | 90.9 | 94.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 273 | 100 mM sodium cacodylate, and 27.5 % (v/v) PEG 2000 MME, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K |
