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 |