3MRJ
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide V5M variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.93300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.580, 80.100, 57.880 |
| Unit cell angles | 90.00, 114.96, 90.00 |
Refinement procedure
| Resolution | 14.960 - 1.870 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mrg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.225 |
| 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] | 20.000 | 1.940 | |
| High resolution limit [Å] | 1.870 | 7.240 | 1.870 |
| Rmerge | 0.041 | 0.025 | 0.242 |
| Number of reflections | 36724 | 625 | 3344 |
| <I/σ(I)> | 20.28 | 44.3 | 3.7 |
| Completeness [%] | 98.0 | 91.5 | 85.2 |
| Redundancy | 3.54 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 13% PEG 6000, 0.1M NaCitrate, 0.05M NaCl, 2.84mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
