1LP9
Xenoreactive complex AHIII 12.2 TCR bound to p1049/HLA-A2.1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-12 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.01715 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.708, 84.469, 121.336 |
| Unit cell angles | 90.00, 92.13, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.22058 |
| Rwork | 0.219 |
| R-free | 0.25300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Class I MHC PDB ENTRY 1B0G. TCR PDB ENTRY 2CKB |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.435 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.074 * | 0.578 |
| Number of reflections | 121366 | |
| <I/σ(I)> | 28.5 | 3.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 * | 298 | PEG3350, 25mM MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 12 (%) | |
| 3 | 1 | reservoir | HEPES | 25 (mM) | pH7.1 |
| 4 | 1 | reservoir | 1 (M) |
