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 |