5D2N
Crystal structure of C25-NLV-HLA-A2 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-19 |
| Detector | RAYONIX MX300HS |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.307, 124.874, 193.843 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.697 - 2.099 |
| R-factor | 0.2046 |
| Rwork | 0.204 |
| R-free | 0.25270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mi5 3gso |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.264 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.099 | 5.700 | 2.100 |
| Rmerge | 0.106 | 0.038 | |
| Rmeas | 0.111 | 0.041 | |
| Rpim | 0.044 | 0.015 | 0.466 |
| Total number of observations | 837368 | ||
| Number of reflections | 119186 | ||
| <I/σ(I)> | 5.7 | ||
| Completeness [%] | 99.3 | 99.8 | 98.6 |
| Redundancy | 7 | 7.2 | 6.4 |
| CC(1/2) | 0.999 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | PEG3000, Imidazole, Calcium Acetate |
