5TKJ
Structure of vaccine-elicited diverse HIV-1 neutralizing antibody vFP1.01 in complex with HIV-1 fusion peptide residue 512-519
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 | 2016-07-10 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.159, 120.182, 226.182 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.539 - 2.118 |
R-factor | 0.2003 |
Rwork | 0.198 |
R-free | 0.24060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bky |
RMSD bond length | 0.008 |
RMSD bond angle | 1.007 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.539 | 50.000 | 2.160 |
High resolution limit [Å] | 2.120 | 5.750 | 2.120 |
Rmerge | 0.093 | 0.046 | 0.517 |
Rmeas | 0.100 | ||
Rpim | 0.037 | ||
Total number of observations | 843512 | ||
Number of reflections | 118381 | ||
<I/σ(I)> | 5.4 | ||
Completeness [%] | 99.8 | 99.8 | 97.1 |
Redundancy | 7.1 | 7 | 5.4 |
CC(1/2) | 0.999 | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.2M AmSO4, 0.1M NaoAc pH 4.6, 25% PEG 4000 |