4GMS
Crystal structure of heterosubtypic Fab S139/1 in complex with influenza A H3 hemagglutinin
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] | 77 |
| Detector technology | CCD |
| Collection date | 2011-08-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0333 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 225.510, 112.940, 196.970 |
| Unit cell angles | 90.00, 118.76, 90.00 |
Refinement procedure
| Resolution | 48.406 - 2.950 |
| R-factor | 0.2088 |
| Rwork | 0.207 |
| R-free | 0.23330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 4FNK AND 4GMT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.179 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.050 | 0.460 |
| Number of reflections | 91317 | |
| <I/σ(I)> | 17.1 | 2.1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES, pH 7.5, 2 M ammonium sulfate, 2% v/v PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
