4DVS
Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with NBD-557
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 | IMAGE PLATE |
| Collection date | 2011-06-05 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.644, 68.223, 94.021 |
| Unit cell angles | 90.00, 91.48, 90.00 |
Refinement procedure
| Resolution | 25.067 - 2.100 |
| R-factor | 0.1947 |
| Rwork | 0.193 |
| R-free | 0.23190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tgt |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.526 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.058 | 0.447 |
| Number of reflections | 43523 | |
| <I/σ(I)> | 14.8 | 1.49 |
| Completeness [%] | 88.4 | 46.8 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 10% PEG 8000, 5% iso-propanol, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
