3UBQ
Influenza hemagglutinin from the 2009 pandemic in complex with ligand 3SLN
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 | 66.876, 116.258, 118.366 |
Unit cell angles | 60.96, 77.13, 80.40 |
Refinement procedure
Resolution | 49.238 - 2.000 |
R-factor | 0.2019 |
Rwork | 0.199 |
R-free | 0.24950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lzg |
RMSD bond length | 0.005 |
RMSD bond angle | 0.918 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.068 | 0.036 | 0.459 |
Number of reflections | 172551 | ||
<I/σ(I)> | 8.2 | ||
Completeness [%] | 84.4 | 99.1 | 53.7 |
Redundancy | 2 | 2.2 | 1.8 |
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 |