3VIE
HIV-gp41 fusion inhibitor Sifuvirtide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-08-12 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.787, 49.179, 55.818 |
| Unit cell angles | 90.00, 90.65, 90.00 |
Refinement procedure
| Resolution | 34.936 - 1.800 |
| R-factor | 0.1837 |
| Rwork | 0.182 |
| R-free | 0.21870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1env |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.490 |
| 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] | 44.391 | 1.800 |
| High resolution limit [Å] | 1.701 | 1.701 |
| Rmerge | 0.034 | 0.245 |
| Number of reflections | 24817 | |
| <I/σ(I)> | 18.53 | 2.51 |
| Completeness [%] | 93.1 | 63.3 |
| Redundancy | 3.18 | 1.24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.1M Tris HCl, 10% w/v PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
