7LGT
HLA-B*07:02 in complex with 229E-derived coronavirus nucleocapsid peptide N75-83
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 |
Unit cell lengths | 57.144, 62.854, 63.010 |
Unit cell angles | 77.15, 77.00, 77.86 |
Refinement procedure
Resolution | 42.060 - 1.970 |
R-factor | 0.1916 |
Rwork | 0.189 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5wmn |
RMSD bond length | 0.008 |
RMSD bond angle | 0.955 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.12) |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.530 | 44.530 | 2.020 |
High resolution limit [Å] | 1.970 | 9.030 | 1.970 |
Rmerge | 0.120 | 0.086 | 0.717 |
Rmeas | 0.141 | 0.102 | 0.843 |
Rpim | 0.074 | 0.054 | 0.438 |
Total number of observations | 204851 | 2124 | 14311 |
Number of reflections | 56880 | 591 | 3904 |
<I/σ(I)> | 5.5 | 12.7 | 1.7 |
Completeness [%] | 98.1 | 98.7 | 96.8 |
Redundancy | 3.6 | 3.6 | 3.7 |
CC(1/2) | 0.990 | 0.975 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 18% PEG 3350, 0.2 M KI |