5I8C
Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab
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 | 2015-07-15 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.471, 74.895, 84.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.786 - 1.540 |
| R-factor | 0.1606 |
| Rwork | 0.160 |
| R-free | 0.18150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jpi |
| RMSD bond angle | 1.187 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.600 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.570 | 1.540 |
| Rmerge | 0.066 | 0.133 | 0.140 |
| Number of reflections | 60235 | ||
| <I/σ(I)> | 17 | ||
| Completeness [%] | 99.6 | 100 | 93.5 |
| Redundancy | 7.1 | 6.6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Imidazole pH8, 0.2M Calcium Acetate, 25% PEG 8000 |
