4JFF
Preservation of peptide specificity during TCR-MHC contact dominated affinity enhancement of a melanoma-specific TCR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-08 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 43 |
| Unit cell lengths | 121.440, 121.440, 82.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.129 - 2.430 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.26280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.246 |
| Data reduction software | xia2 |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.130 | 68.129 | 2.490 |
| High resolution limit [Å] | 2.430 | 10.870 | 2.430 |
| Rmerge | 0.037 | 0.909 | |
| Total number of observations | 3737 | 27966 | |
| Number of reflections | 45232 | ||
| <I/σ(I)> | 14.8 | 17.3 | 0.8 |
| Completeness [%] | 100.0 | 98.3 | 100 |
| Redundancy | 8.3 | 7 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.1 M TRIS, 15% PEG 4000, 17.4% Glycerol, pH 7.0, vapor diffusion, sitting drop, temperature 291K |
