3C3F
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-02 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.237, 35.230, 47.309 |
| Unit cell angles | 90.00, 90.87, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.18881 |
| Rwork | 0.185 |
| R-free | 0.26480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.745 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.300 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 7896 | |
| <I/σ(I)> | 17 | 3.8 |
| Completeness [%] | 98.2 | 90.1 |
| Redundancy | 8.6 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M ammonium sulfate, 0.1 M Tris pH 8.5, 30% v/v PEG 550 monomethyl ether, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
