2R3C
Structure of the gp41 N-peptide in complex with the HIV entry inhibitor PIE1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.07274 |
| Spacegroup name | P 63 |
| Unit cell lengths | 46.843, 46.843, 137.079 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.730 |
| R-factor | 0.23 |
| Rwork | 0.193 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Rmerge | 0.094 | 0.481 |
| Number of reflections | 33506 | |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 95.3 | 77.5 |
| Redundancy | 5.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 298 | 27% PEG 2000 MME, 0.1M Sodium Acetate, 0.4M YCl3, pH 4.6, VAPOR DIFFUSION, temperature 298K |
