2Q3I
Crystal structure of the D10-P3/IQN17 complex: a D-peptide inhibitor of HIV-1 entry bound to the GP41 coiled-coil pocket
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-03-31 |
| Detector | ADSC QUANTUM |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 50.702, 50.702, 67.858 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 1.500 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1czq |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.310 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.048 | 0.235 |
| Number of reflections | 16309 | |
| <I/σ(I)> | 16.8 | 4.5 |
| Completeness [%] | 97.2 | 86.8 |
| Redundancy | 6.5 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 10% ETHANOL, 1.5 M SODIUM CHLORIDE, pH 7.5, VAPOR DIFFUSION |
