3W19
Potent HIV fusion inhibitor CP32M-2
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 | 2011-12-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.82656 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 44.488, 44.488, 208.741 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.140 - 1.278 |
| R-factor | 0.1561 |
| Rwork | 0.155 |
| R-free | 0.17240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3VGX |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.794 |
| Data reduction software | XDS (package) |
| Data scaling software | XDS (package) |
| Phasing software | PHASER (for MR) |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.144 | 1.350 |
| High resolution limit [Å] | 1.278 | 1.280 |
| Rmerge | 0.026 | 0.459 |
| Number of reflections | 21170 | |
| <I/σ(I)> | 27.92 | 3.49 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 5.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.2M Ammonium sulfate, 0.1 M HEPES, 16%(w/v) PEG 4000, 10%(w/v) isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
