4U6V
Mechanisms of Neutralization of a Human Anti-Alpha Toxin Antibody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-11-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 85.524, 148.505, 93.824 |
| Unit cell angles | 90.00, 99.82, 90.00 |
Refinement procedure
| Resolution | 92.450 - 2.560 |
| R-factor | 0.19966 |
| Rwork | 0.198 |
| R-free | 0.23488 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7ahl |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.371 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.450 | 2.750 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.103 | 1.540 |
| Number of reflections | 74008 | |
| <I/σ(I)> | 11.5 | 1.3 |
| Completeness [%] | 97.5 | 98.6 |
| Redundancy | 5.3 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Diffraction quality crystals grew in about a week in hanging drops where 3 ul of the MEDI4893 Fab/AT complex at a concentration of 15 mg/ml in 50 mM Tris-HCl, pH 7.5, 100 mM NaCl was mixed with 2 ul of 10% (w/v) PEG 6000, 100 mM HEPES, pH 7.0 and let to equilibrate against 300 ul of 10% (w/v) PEG 6000, 100 mM HEPES, pH 7.0 |
