3MRI
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide G4M-V5W variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.407, 80.506, 55.904 |
| Unit cell angles | 90.00, 112.44, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.100 |
| R-factor | 0.239 |
| Rwork | 0.239 |
| R-free | 0.29600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mrg |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.305 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.170 | |
| High resolution limit [Å] | 2.100 | 8.130 | 2.100 |
| Rmerge | 0.107 | 0.040 | 0.460 |
| Number of reflections | 25056 | 445 | 2331 |
| <I/σ(I)> | 8.71 | 22.5 | 2.8 |
| Completeness [%] | 99.5 | 97.2 | 99.9 |
| Redundancy | 3.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 9% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
