7R7Y
Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 S3T variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.335, 81.828, 109.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.804 - 1.601 |
| R-factor | 0.1549 |
| Rwork | 0.153 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a1m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.075 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.118 | 0.050 | 0.657 |
| Rmeas | 0.121 | 0.051 | 0.676 |
| Rpim | 0.028 | 0.012 | 0.157 |
| Total number of observations | 1117738 | ||
| Number of reflections | 60505 | 3257 | 2974 |
| <I/σ(I)> | 11.9 | ||
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 18.5 | 17.5 | 18.5 |
| CC(1/2) | 0.999 | 0.956 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 30% w/v PEG8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate trihydrate, pH 6.5 |
