3W39
Crystal structure of HLA-B*5201 in complexed with HIV immunodominant epitope (TAFTIPSI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-01-31 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.045, 83.255, 170.347 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.802 - 3.100 |
| R-factor | 0.2979 |
| Rwork | 0.295 |
| R-free | 0.34690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e28 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.484 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.900 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.241 | 0.596 |
| Number of reflections | 18422 | |
| <I/σ(I)> | 2.8 | 1.2 |
| Completeness [%] | 99.6 | 98.2 |
| Redundancy | 9 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 3350, 0.2M sodium acetate, 0.1M Bis Tris propane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
