5NMD
868 TCR Specific for HLA A02 presenting HIV Epitope SLYNTVATL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-20 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.470, 50.620, 114.310 |
| Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
| Resolution | 43.810 - 2.070 |
| R-factor | 0.19039 |
| Rwork | 0.189 |
| R-free | 0.22319 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bnu |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.970 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.810 | 2.130 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.050 | 0.723 |
| Number of reflections | 60507 | 4492 |
| <I/σ(I)> | 12.1 | 2.3 |
| Completeness [%] | 98.6 | 99.6 |
| Redundancy | 3.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Sodium Cacodylate, pH 6.5, 20% PEG 8000 |
