6ID4
Defining the structural basis for human alloantibody binding to human leukocyte antigen allele HLA-A*11:01
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2017-09-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.560, 215.330, 80.980 |
| Unit cell angles | 90.00, 92.96, 90.00 |
Refinement procedure
| Resolution | 45.780 - 2.400 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w72 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.230 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.690 | 2.410 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Number of reflections | 79954 | 12545 |
| <I/σ(I)> | 6.2 | 1.36 |
| Completeness [%] | 96.3 | 93.6 |
| Redundancy | 2.9 | 2.5 |
| CC(1/2) | 0.980 | 0.560 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1,4-Dioxane, Tris pH 8.2, Polyethylene glycol 3,350 |
