3BHB
Crystal Structure of KMD 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 | 2007-04-04 |
| Detector | SATURN |
| Wavelength(s) | 1.5417 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.100, 80.200, 57.300 |
| Unit cell angles | 90.00, 115.90, 90.00 |
Refinement procedure
| Resolution | 19.500 - 2.200 |
| Rwork | 0.226 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.570 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.300 | |
| High resolution limit [Å] | 2.200 | 10.000 | 2.200 |
| Rmerge | 0.116 | 0.034 | 0.333 |
| Number of reflections | 22776 | 230 | 2230 |
| <I/σ(I)> | 16.55 | 44.4 | 4.8 |
| Completeness [%] | 95.8 | 86.1 | 75.6 |
| Redundancy | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 24% POLYACRYLIC ACID, 0.1M HEPES, 0.09M MgCl2, pH 7.5, VAPOR DIFFUSION, hanging drop, temperature 298K |
