6AT5
Crystal structure of HLA-B*07:02 in complex with an NY-ESO-1 peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.194, 82.066, 112.047 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.146 - 1.500 |
| R-factor | 0.2116 |
| Rwork | 0.211 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.952 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.270 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.121 | 0.564 |
| Rpim | 0.051 | 0.224 |
| Number of reflections | 74669 | 10830 |
| <I/σ(I)> | 8.5 | 2.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 6.9 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M NaCl and 20 % PEG 3350 |
