6O3L
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41).
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 | 2018-03-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 |
Unit cell lengths | 55.342, 58.029, 98.725 |
Unit cell angles | 87.94, 76.09, 72.52 |
Refinement procedure
Resolution | 36.154 - 1.980 |
R-factor | 0.1722 |
Rwork | 0.170 |
R-free | 0.21090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6o3k |
RMSD bond length | 0.008 |
RMSD bond angle | 0.925 |
Data reduction software | HKL-2000 (2.3.10) |
Data scaling software | HKL-2000 (2.3.10) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.154 | 2.010 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmerge | 0.083 | 0.230 |
Rpim | 0.046 | 0.141 |
Number of reflections | 72569 | 2807 |
<I/σ(I)> | 12.6 | 6 |
Completeness [%] | 91.3 | 70.7 |
Redundancy | 3.8 | 3.3 |
CC(1/2) | 0.949 | 0.977 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.2 M ammonium dihydrogen phosphate, 22% PEG3350 |