4NO5
Crystal structure of non-phosphorylated form 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 | P 1 21 1 |
| Unit cell lengths | 56.400, 79.300, 56.800 |
| Unit cell angles | 90.00, 115.50, 90.00 |
Refinement procedure
| Resolution | 19.890 - 2.101 |
| R-factor | 0.1901 |
| Rwork | 0.188 |
| R-free | 0.23670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bh9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.135 |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.891 | 19.891 | 2.400 |
| High resolution limit [Å] | 2.101 | 10.000 | 2.101 |
| Rmerge | 0.088 | 0.038 | 0.240 |
| Number of reflections | 26307 | 228 | 8581 |
| <I/σ(I)> | 25.24 | 67.25 | 11.35 |
| Completeness [%] | 99.3 | 86.7 | 98.8 |
| Redundancy | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 19% PEG3350, 0.1 M Bis-Tris propane, 0.1 M sodium tartrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
