3U1S
Crystal structure of human Fab PGT145, a broadly reactive and potent HIV-1 neutralizing antibody
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] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03322 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 118.730, 118.730, 101.184 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.19633 |
| Rwork | 0.195 |
| R-free | 0.22785 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mug |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.217 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.087 | 0.472 |
| Number of reflections | 32493 | |
| <I/σ(I)> | 19.1 | 4.1 |
| Completeness [%] | 99.2 | 99.9 |
| Redundancy | 8.4 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES, pH 7.5, 2 M ammonium sulfate and 20% PEG 400, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
