2OXK
Helix Bundle Quaternary Structure from alpha/beta-Peptide Foldamers: GCN4-pLI with beta-residues at b and f heptad positions.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-21 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 34.847, 34.847, 47.106 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.000 |
| R-factor | 0.21452 |
| Rwork | 0.212 |
| R-free | 0.25149 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.368 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.100 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 2220 | |
| <I/σ(I)> | 20.3 | 3.6 |
| Completeness [%] | 100.0 | 99.7 |
| Redundancy | 10.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 1.5 M ammonium formate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
