3BH9
Crystal Structure of RTY 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 | 2007-03-14 |
| Detector | SATURN |
| Wavelength(s) | 1.5417 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.600, 53.100, 75.700 |
| Unit cell angles | 90.00, 104.80, 90.00 |
Refinement procedure
| Resolution | 19.620 - 1.700 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.424 |
| 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 | 1.800 | |
| High resolution limit [Å] | 1.700 | 10.000 | 1.700 |
| Rmerge | 0.044 | 0.021 | 0.490 |
| Number of reflections | 46220 | 236 | 5036 |
| <I/σ(I)> | 28.53 | 95.6 | 2.7 |
| Completeness [%] | 92.6 | 85.8 | 64.4 |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 21% PEG 3350, 0.1M sodium thiocyanate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
