3O3A
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-25 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.98494 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.208, 84.222, 83.946 |
| Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.1731 |
| Rwork | 0.171 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gt9 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.762 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
| Rmerge | 0.091 | 0.036 | 0.523 |
| Number of reflections | 75175 | ||
| <I/σ(I)> | 13.1 | ||
| Completeness [%] | 99.6 | 99.6 | 97.1 |
| Redundancy | 3.7 | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
