3VH7
Structure of HIV-1 gp41 NHR/fusion inhibitor complex P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.506, 45.504, 55.514 |
| Unit cell angles | 90.00, 107.65, 90.00 |
Refinement procedure
| Resolution | 42.607 - 2.019 |
| R-factor | 0.2241 |
| Rwork | 0.222 |
| R-free | 0.27410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3F4Y |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.545 |
| Data reduction software | XDS (package) |
| Data scaling software | XDS (package) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.607 | 2.140 |
| High resolution limit [Å] | 2.019 | 2.020 |
| Rmerge | 0.084 | 0.747 |
| Number of reflections | 14977 | |
| <I/σ(I)> | 7.8 | 1.18 |
| Completeness [%] | 90.8 | 63.3 |
| Redundancy | 1.97 | 1.24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 0.1M MgCl2, 0.1M Sodium acetate, 25% PEG 400, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
