3HEX
Cyclic residues in alpha/beta-peptide helix bundles: GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone with cyclic beta-residues at positions 1, 4, 19 and 28
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-27 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 38.124, 38.124, 46.126 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.270 - 2.800 |
| R-factor | 0.27335 |
| Rwork | 0.272 |
| R-free | 0.29795 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hev |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.035 |
| 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] | 23.270 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 995 | |
| <I/σ(I)> | 9.1 | 4.5 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 5.4 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 0.1 M sodium acetate, 0.35 M magnesium formate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
