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 |