4EI5
Crystal Structure of XV19 TCR in complex with CD1d-sulfatide C24:1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95453 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 102.739, 140.711, 160.773 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 105.880 - 3.100 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.22680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 2AKR AND 4EI6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.040 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.12) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 140.000 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.151 | 1.107 |
| Number of reflections | 42432 | |
| <I/σ(I)> | 8.3 | 1.5 |
| Completeness [%] | 99.0 | 99.7 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 277 | 25% PEG3350, 0.1 M citrate/Bis-Tris-propane, pH 7.1, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
