7N5Q
Peptide-MHC complex of mouse H2-Db presenting PA224 with E4C mutation
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 | 2019-10-18 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 |
Unit cell lengths | 46.410, 61.770, 71.680 |
Unit cell angles | 111.33, 91.19, 91.77 |
Refinement procedure
Resolution | 25.320 - 1.760 |
R-factor | 0.182 |
Rwork | 0.180 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pqy |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.360 | 46.360 | 1.790 |
High resolution limit [Å] | 1.760 | 8.970 | 1.760 |
Rmerge | 0.093 | 0.036 | 0.905 |
Rmeas | 0.110 | 0.042 | 1.063 |
Rpim | 0.057 | 0.022 | 0.552 |
Total number of observations | 261890 | 2025 | 14947 |
Number of reflections | 71639 | 544 | 4047 |
<I/σ(I)> | 9.4 | 20.9 | 2.4 |
Completeness [%] | 97.5 | 98.7 | 96.3 |
Redundancy | 3.7 | 3.7 | 3.7 |
CC(1/2) | 0.996 | 0.997 | 0.630 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 20% PEG2000, 0.1M KSCN, 2% MPD |