6AVF
Crystal structure of the KFJ5 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 | 2013-02-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.366, 67.679, 105.716 |
| Unit cell angles | 90.00, 102.93, 90.00 |
Refinement procedure
| Resolution | 46.008 - 2.028 |
| R-factor | 0.2056 |
| Rwork | 0.204 |
| R-free | 0.25590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.171 |
| 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] | 46.010 | 2.140 |
| High resolution limit [Å] | 2.028 | 2.030 |
| Rmerge | 0.110 | 0.570 |
| Number of reflections | 109701 | 8094 |
| <I/σ(I)> | 9.3 | 2.5 |
| Completeness [%] | 99.1 | 96.8 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1 M MIB pH 7.0 and 25 % (w/v) PEG 1500 |
