3VGY
Structure of HIV-1 gp41 NHR/fusion inhibitor complex P321
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 | 2011-03-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 45.094, 45.094, 73.027 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.438 - 2.034 |
| R-factor | 0.2002 |
| Rwork | 0.197 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3F4Y |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.359 |
| 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] | 39.053 | 2.170 |
| High resolution limit [Å] | 2.034 | 2.050 |
| Rmerge | 0.079 | 0.630 |
| Number of reflections | 5850 | |
| <I/σ(I)> | 16.42 | 2.89 |
| Completeness [%] | 99.8 | 98.8 |
| Redundancy | 5.77 | 5.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.2M AMMONIUM SULFATE, 20% PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
