6CF5
Crystal structure of the A/Viet Nam/1203/2004(H5N1) influenza virus hemagglutinin in complex with small molecule N-Cyclohexyltaurine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2015-02-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.583, 232.980, 72.626 |
Unit cell angles | 90.00, 118.91, 90.00 |
Refinement procedure
Resolution | 37.583 - 2.040 |
R-factor | 0.1929 |
Rwork | 0.191 |
R-free | 0.22150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fqi |
RMSD bond length | 0.003 |
RMSD bond angle | 0.597 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.080 |
High resolution limit [Å] | 2.040 | 2.040 |
Rpim | 0.020 | 0.080 |
Number of reflections | 131851 | 6021 |
<I/σ(I)> | 29.3 | 6.9 |
Completeness [%] | 98.4 | 88.9 |
Redundancy | 3.5 | 2.9 |
CC(1/2) | 0.990 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 100 mM of CHES, pH 9.5 and 40% v/v PEG600, 20 degree celsiu |