4RQQ
Crystal structure of human Fab PGDM1400, a broadly reactive and potent HIV-1 neutralizing antibody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-06-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.700, 149.170, 109.930 |
| Unit cell angles | 90.00, 100.90, 90.00 |
Refinement procedure
| Resolution | 38.809 - 3.100 |
| R-factor | 0.2227 |
| Rwork | 0.221 |
| R-free | 0.25280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u1s |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.766 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.167 | 0.584 |
| Number of reflections | 30950 | |
| <I/σ(I)> | 6.8 | 1.7 |
| Completeness [%] | 96.7 | 98.6 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.04 M potassium dihydrogen phosphate, 16% w/v polyethylene glycol 8000 and 20% v/v glycerol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
