3HF0
alpha/beta-Peptide helix crystallized from detergent solution: GCN4-pLI side chain sequence on an (alpha-alpha-beta-alpha-beta-alpha-beta) backbone with cyclic beta-residues
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-02 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 47.990, 47.990, 100.533 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.000 - 2.100 |
| R-factor | 0.21988 |
| Rwork | 0.219 |
| R-free | 0.23272 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oxk |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.202 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 3697 | |
| <I/σ(I)> | 22.6 | 4.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.9 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.5 M sodium chloride, 5 mM cetyl-trimetylammonium bromide, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
