3UBN
Influenza hemagglutinin from the 2009 pandemic in complex with ligand 6SLN
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] | 110 |
Detector technology | CCD |
Collection date | 2010-12-06 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 |
Unit cell lengths | 67.000, 116.710, 119.660 |
Unit cell angles | 60.61, 77.05, 80.38 |
Refinement procedure
Resolution | 49.682 - 2.508 |
R-factor | 0.2073 |
Rwork | 0.205 |
R-free | 0.25280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lzg |
RMSD bond length | 0.002 |
RMSD bond angle | 0.614 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.087 | 0.038 | 0.465 |
Number of reflections | 99231 | ||
<I/σ(I)> | 7.3 | ||
Completeness [%] | 94.6 | 99.5 | 75.7 |
Redundancy | 2.1 | 2.2 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.8 | 295.5 | 27% PEG-MME 2000, 0.1M Tris pH 8.8, VAPOR DIFFUSION, SITTING DROP, temperature 295.5K |