3MR9
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide M5A 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 | 54.020, 81.100, 57.340 |
| Unit cell angles | 90.00, 113.90, 90.00 |
Refinement procedure
| Resolution | 14.060 - 1.930 |
| R-factor | 0.208 |
| Rwork | 0.209 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.174 |
| 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 | 2.000 | |
| High resolution limit [Å] | 1.930 | 7.470 | 1.930 |
| Rmerge | 0.063 | 0.035 | 0.279 |
| Number of reflections | 33491 | 561 | 3085 |
| <I/σ(I)> | 13.77 | 29.6 | 3.1 |
| Completeness [%] | 98.2 | 90 | 90.1 |
| Redundancy | 3.49 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 12% PEG 6000, 0.1M NaCitrate, 0.15M NaCl, 3.5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
