4NO3
Crystal structure of AMPD2 phosphopeptide bound to HLA-A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-30 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5417 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.000, 55.200, 75.100 |
| Unit cell angles | 90.00, 104.90, 90.00 |
Refinement procedure
| Resolution | 20.052 - 1.703 |
| R-factor | 0.2091 |
| Rwork | 0.208 |
| R-free | 0.23180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bh9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.111 |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.052 | 20.052 | 1.900 |
| High resolution limit [Å] | 1.703 | 10.000 | 1.703 |
| Rmerge | 0.034 | 0.024 | 0.328 |
| Number of reflections | 46573 | 236 | 10750 |
| <I/σ(I)> | 33.95 | 91.13 | 4.68 |
| Completeness [%] | 91.9 | 84.9 | 75.4 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 12% PEG3350, 8% tacsimate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
