1QR1
POOR BINDING OF A HER-2/NEU EPITOPE (GP2) TO HLA-A2.1 IS DUE TO A LACK OF INTERACTIONS IN THE CENTER OF THE PEPTIDE
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 | 1998-06-10 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.337, 63.609, 75.135 |
| Unit cell angles | 81.88, 76.25, 77.83 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.242 * |
| Rwork | 0.242 |
| R-free | 0.28400 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (0.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.440 |
| High resolution limit [Å] | 2.500 | 2.400 |
| Rmerge | 0.093 | 0.233 |
| Total number of observations | 66839 * | |
| Number of reflections | 34962 * | |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 98.2 | 97.6 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | Zhao, R., (1999) J.Exp.Med., 189, 359. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 12-16 (%) | |
| 2 | 1 | reservoir | dioxane | 6 (%) | |
| 3 | 1 | reservoir | MES | 25 (mM) | |
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | drop | MES | 25 (mM) |
