6W51
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-14 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 113.210, 123.690, 136.909 |
| Unit cell angles | 90.00, 100.36, 90.00 |
Refinement procedure
| Resolution | 30.370 - 3.530 |
| R-factor | 0.2044 |
| Rwork | 0.200 |
| R-free | 0.28320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6o4y 6uj9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.665 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.370 | 30.370 | 3.660 |
| High resolution limit [Å] | 3.530 | 13.200 | 3.530 |
| Rmerge | 0.247 | 0.082 | 0.760 |
| Rmeas | 0.311 | 0.103 | 0.960 |
| Rpim | 0.186 | 0.061 | 0.577 |
| Total number of observations | 1834 | 9774 | |
| Number of reflections | 43734 | 759 | 4273 |
| <I/σ(I)> | 3.6 | 8.6 | 1.4 |
| Completeness [%] | 95.3 | 82.8 | 89.2 |
| Redundancy | 2.4 | 2.4 | 2.3 |
| CC(1/2) | 0.938 | 0.987 | 0.541 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 0.2 M Ammonium chloride, 20% w/v PEG 3350 |
