3O3E
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-2.1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-10-14 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.176, 84.351, 83.990 |
| Unit cell angles | 90.00, 90.06, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.850 |
| R-factor | 0.1847 |
| Rwork | 0.182 |
| R-free | 0.22950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gt9 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.719 |
| 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 | 1.880 |
| High resolution limit [Å] | 1.850 | 5.000 | 1.850 |
| Rmerge | 0.108 | 0.044 | 0.634 |
| Number of reflections | 66944 | ||
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 96.5 | 99.6 | 72.9 |
| Redundancy | 3.6 | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG3350 24%, MES 0.025M, NaF 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
