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 |