8CMF
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 nsp3 epitope (orf1ab)1350-1364
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-07-05 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.230, 95.490, 202.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.110 - 2.200 |
R-factor | 0.2088 |
Rwork | 0.207 |
R-free | 0.23970 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.816 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.110 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.345 | 4.163 |
Rmeas | 0.351 | 4.244 |
Rpim | 0.066 | 0.818 |
Number of reflections | 60213 | 5910 |
<I/σ(I)> | 9.39 | 0.86 |
Completeness [%] | 99.9 | 98.89 |
Redundancy | 27.9 | |
CC(1/2) | 0.998 | 0.517 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291 | 0.1 M SPG pH 4.6, 25 % PEG1500 |