4E1T
X-ray crystal structure of the transmembrane beta-domain from invasin from Yersinia pseudotuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.034375 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 79.404, 124.885, 65.073 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.787 - 2.263 |
| R-factor | 0.1915 |
| Rwork | 0.188 |
| R-free | 0.25960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e1s |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.954 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.007 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.263 | 4.950 | 2.263 |
| Rmerge | 0.133 | 0.095 | 0.599 |
| Number of reflections | 14111 | ||
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 92.7 | 99.3 | 76.2 |
| Redundancy | 5.1 | 5.7 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE MONOOLEIN | 4 | 294 | 0.05 M sodium citrate, pH 3.8-4.4, 0.2 M lithium sulfate, 23-35% PEG400, LIPIDIC CUBIC PHASE MONOOLEIN, temperature 294K |
