6UJO
HHAT L75F Neoantigen Peptide KQWLVWLFL Presented by HLA-A206
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 | PIXEL |
Collection date | 2018-03-23 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 97.541, 37.692, 120.113 |
Unit cell angles | 90.00, 91.48, 90.00 |
Refinement procedure
Resolution | 26.540 - 2.250 |
R-factor | 0.1769 |
Rwork | 0.172 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tvh |
RMSD bond length | 0.004 |
RMSD bond angle | 0.645 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.000 | 2.320 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.109 | 0.445 |
Rmeas | 0.129 | 0.533 |
Rpim | 0.068 | 0.289 |
Number of reflections | 19072 | 1511 |
<I/σ(I)> | 10.3 | 2.5 |
Completeness [%] | 90.1 | 87.2 |
Redundancy | 3.3 | 3 |
CC(1/2) | 0.985 | 0.720 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295.5 | 10% PEG3350, 0.1 M magnesium chloride, 0.1 M sodium citrate, pH 6.5 |