6MQE
Vaccine-elicited NHP FP-targeting HIV neutralizing antibody DFPH-a.15 in complex with HIV 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 | PIXEL |
| Collection date | 2018-02-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 71.234, 147.729, 172.711 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.276 - 2.459 |
| R-factor | 0.1947 |
| Rwork | 0.192 |
| R-free | 0.24460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i8e |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.150 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.192 | 0.094 | 0.673 |
| Rmeas | 0.210 | 0.103 | 0.770 |
| Rpim | 0.085 | 0.042 | 0.368 |
| Total number of observations | 187244 | ||
| Number of reflections | 32861 | 1760 | 1588 |
| <I/σ(I)> | 4.1 | ||
| Completeness [%] | 99.7 | 98.2 | 98.5 |
| Redundancy | 5.7 | 5.9 | 3.9 |
| CC(1/2) | 0.993 | 0.773 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% w/v PEG 400, 0.1 M MgCl2, 0.1 M Tris HCl, and 20% w/v PEG 3350 |
