4JFP
A2 HLA complex with G4A heteroclitic variant of Melanoma peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-14 |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 202.590, 49.110, 117.600 |
| Unit cell angles | 90.00, 123.02, 90.00 |
Refinement procedure
| Resolution | 39.709 - 1.910 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.22770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.251 |
| Data reduction software | xia2 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.710 | 39.709 | 1.960 |
| High resolution limit [Å] | 1.910 | 8.550 | 1.910 |
| Rmerge | 0.052 | 0.024 | 0.748 |
| Total number of observations | 3038 | 18685 | |
| Number of reflections | 73975 | ||
| <I/σ(I)> | 10.7 | 22.3 | 1 |
| Completeness [%] | 98.0 | 94.7 | 97.5 |
| Redundancy | 3.5 | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 0.1 M sodium cacodylate, 20% PEG 8000, 0.2 M ammonium sulphate, pH 6.0, vapor diffusion, sitting drop, temperature 291K |
