6CF7
Crystal structure of the A/Solomon Islands/3/2006(H1N1) influenza virus hemagglutinin in complex with small molecule JNJ4796
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-04-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 161.445, 161.445, 161.445 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.777 - 2.719 |
R-factor | 0.2273 |
Rwork | 0.226 |
R-free | 0.24930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5w5s |
RMSD bond length | 0.004 |
RMSD bond angle | 0.565 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.770 |
High resolution limit [Å] | 2.719 | 2.720 |
Rpim | 0.030 | 0.240 |
Number of reflections | 19893 | 967 |
<I/σ(I)> | 22.4 | 2.1 |
Completeness [%] | 99.6 | 100 |
Redundancy | 12.4 | |
CC(1/2) | 0.970 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2M disodium hydrogen phosphate, 20% w/v PEG3350 |