5MP6
Structure of the Unliganded Fab from HIV-1 Neutralizing Antibody CAP248-2B that Binds to the gp120 C-terminus - gp41 Interface, at two Angstrom resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.003, 85.903, 126.277 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.739 - 1.959 |
| R-factor | 0.1992 |
| Rwork | 0.198 |
| R-free | 0.23990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4QHK and 3B2U |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.798 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 5.290 | 1.950 |
| Rmerge | 0.106 | 0.088 | 0.679 |
| Rmeas | 0.115 | 0.096 | 0.744 |
| Rpim | 0.043 | 0.036 | 0.300 |
| Total number of observations | 414268 | ||
| Number of reflections | 57572 | ||
| <I/σ(I)> | 6.7 | ||
| Completeness [%] | 99.9 | 99.3 | 99.9 |
| Redundancy | 7.2 | 6.9 | 5.7 |
| CC(1/2) | 0.987 | 0.787 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298.15 | 10.25% PEG4000 87.5 mM ammonium sulphate Cryoprotectant: 25% PEG400 |
