3O3D
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.160, 84.244, 84.123 |
| Unit cell angles | 90.00, 90.14, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.700 |
| R-factor | 0.18164 |
| Rwork | 0.180 |
| R-free | 0.21852 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gt9 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.704 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.910 | |
| Number of reflections | 88669 | |
| <I/σ(I)> | 14.9 | |
| Completeness [%] | 99.4 | 98.3 |
| Redundancy | 3.6 |
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 |
