3M6S
Crystal structure of H1N1pdm Hemagglutinin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 73.984, 109.709, 129.896 |
Unit cell angles | 86.25, 74.68, 75.10 |
Refinement procedure
Resolution | 50.000 - 2.800 |
R-factor | 0.23109 |
Rwork | 0.230 |
R-free | 0.25588 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ku3 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.701 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 94645 | |
<I/σ(I)> | 1.6 | |
Completeness [%] | 98.1 | 95.7 |
Redundancy | 2 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 7.5 | 293 | 22% PEG2000MME, 0.1M HEPES at pH7.5, microbatch under oil, temperature 293K |