3BH8
Crystal Structure of RQA_M 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 | 2007-04-03 |
| Detector | SATURN |
| Wavelength(s) | 1.5417 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 112.600, 55.100, 75.900 |
| Unit cell angles | 90.00, 103.50, 90.00 |
Refinement procedure
| Resolution | 19.720 - 1.650 |
| R-factor | 0.202 |
| Rwork | 0.200 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.340 |
| 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 | 0.039 | 0.017 | 0.703 |
| Number of reflections | 53891 | 235 | 6706 |
| <I/σ(I)> | 26.79 | 98.1 | 2.3 |
| Completeness [%] | 90.0 | 85.8 | 67.6 |
| Redundancy | 7 |
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 |
