6AVG
Crystal structure of the KFJ37 TCR-NY-ESO-1-HLA-B*07:02 complex
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 | 2013-02-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 |
| Unit cell lengths | 66.805, 74.863, 96.276 |
| Unit cell angles | 94.22, 97.88, 90.16 |
Refinement procedure
| Resolution | 38.815 - 2.600 |
| R-factor | 0.1959 |
| Rwork | 0.193 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.047 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.815 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.139 | 0.683 |
| Number of reflections | 55986 | 8124 |
| <I/σ(I)> | 10.5 | 3.9 |
| Completeness [%] | 98.8 | 98.2 |
| Redundancy | 10.5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | 0.1 M BTP pH 8.8, 0.2 M Na-Iodide, 14 % w/v PEG 3350 and 2 % w/v PEG 20000 |
