3F4Z
Trimeric helix bundle formed by an alpha/beta-peptide derivative of the HIV gp41 CHR domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.335, 43.989, 58.142 |
| Unit cell angles | 90.00, 105.40, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.100 |
| R-factor | 0.20606 |
| Rwork | 0.204 |
| R-free | 0.24864 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f4y |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.978 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0063) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 10494 | |
| <I/σ(I)> | 16.1 | 3.5 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 3.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.5 M ammonium sulfate, 0.1 M HEPES-Na pH 7.5, 30% v/v MPD, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
