3BGM
Crystal Structure of PKD2 Phosphopeptide Bound to Human Class I MHC HLA-A2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-02 |
| Detector | SATURN |
| Wavelength(s) | 1.5417 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.800, 54.800, 75.800 |
| Unit cell angles | 90.00, 105.00, 90.00 |
Refinement procedure
| Resolution | 19.630 - 1.600 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.308 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.700 | |
| High resolution limit [Å] | 1.600 | 10.000 | 1.600 |
| Rmerge | 0.033 | 0.022 | 0.441 |
| Number of reflections | 59358 | 247 | 8355 |
| <I/σ(I)> | 29.95 | 97.7 | 3.1 |
| Completeness [%] | 96.0 | 85.8 | 81.7 |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 17% PEG 8000, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
