6IEX
Crystal structure of HLA-B*4001 in complex with SARS-CoV derived peptide N216-225 GETALALLLL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | FILM |
Collection date | 2017-10-12 |
Detector | SDMS |
Wavelength(s) | 0.97907 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 52.482, 69.274, 120.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.832 - 2.314 |
R-factor | 0.2133 |
Rwork | 0.211 |
R-free | 0.26060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.917 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 19343 | |
<I/σ(I)> | 20.3 | |
Completeness [%] | 99.9 | |
Redundancy | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.1M sodium citrate tribasic dehydrate, pH 6.5 and 18% w-v polyethylene glycol 3350 |