6O3U
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3 in complex with 06:0 PA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | I 21 3 |
| Unit cell lengths | 276.200, 276.200, 276.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.061 - 3.105 |
| R-factor | 0.1881 |
| Rwork | 0.186 |
| R-free | 0.22820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6o3k |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.525 |
| Data reduction software | XDS (20180319) |
| Data scaling software | XSCALE (20180319) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.061 | 3.190 |
| High resolution limit [Å] | 3.105 | 3.105 |
| Rpim | 0.073 | 0.792 |
| Number of reflections | 61847 | 4503 |
| <I/σ(I)> | 9.8 | 1 |
| Completeness [%] | 98.2 | 97.8 |
| Redundancy | 3.3 | 3.1 |
| CC(1/2) | 0.995 | 0.425 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.83 | 293.15 | 1.44 M ammonium sulfate, 0.01M cobalt chloride, 0.1 M MES pH 5.83 |
