3HEZ
Exploring backbone pattern in alpha/beta-peptide helix bundles: The GCN4-pLI side chain sequence on different (alpha-alpha-alpha-beta) backbones
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-27 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.817, 43.082, 37.001 |
| Unit cell angles | 90.00, 96.00, 90.00 |
Refinement procedure
| Resolution | 22.840 - 2.000 |
| R-factor | 0.1592 |
| Rwork | 0.157 |
| R-free | 0.20148 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gcm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.644 |
| 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] | 22.840 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 6732 | |
| <I/σ(I)> | 20 | 4.7 |
| Completeness [%] | 97.8 | 91.9 |
| Redundancy | 4.4 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris pH 8.5, 25% v/v tert-butanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
