8SD4
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule fusion inhibitor compound 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97930 |
Spacegroup name | I 21 3 |
Unit cell lengths | 162.855, 162.855, 162.855 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.060 - 3.110 |
R-factor | 0.20716 |
Rwork | 0.206 |
R-free | 0.23251 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.181 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.060 | 3.160 |
High resolution limit [Å] | 3.110 | 3.110 |
Rpim | 0.040 | 0.390 |
Number of reflections | 13113 | 632 |
<I/σ(I)> | 23.5 | 1 |
Completeness [%] | 100.0 | |
Redundancy | 35.8 | |
CC(1/2) | 0.988 | 0.519 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 277 | 0.2 M lithium nitrate and 20% (w/v) PEG3350 |