3O42
Complex of an alpha/beta-peptide based on the gp41 CHR domain bound to gp41-5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.407, 57.162, 102.178 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 3.000 |
| R-factor | 0.20578 |
| Rwork | 0.202 |
| R-free | 0.29044 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o3x |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.507 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 3.000 |
| Number of reflections | 6128 |
| <I/σ(I)> | 16.7 |
| Completeness [%] | 99.5 |
| Redundancy | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M Na citrate, 0.1 M HEPES pH 7.5, 20% v/v iPrOH , VAPOR DIFFUSION, HANGING DROP, temperature 298K |
