3O3B
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1.1
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 | 2007-10-25 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.125, 84.254, 83.946 |
| Unit cell angles | 90.00, 89.95, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.1891 |
| Rwork | 0.186 |
| R-free | 0.23810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gt9 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.843 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
| Rmerge | 0.141 | 0.066 | 0.497 |
| Number of reflections | 61720 | ||
| <I/σ(I)> | 9.6 | ||
| Completeness [%] | 96.9 | 99.6 | 81.6 |
| Redundancy | 3.6 | 3.6 | 3.1 |
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 |
