3HEU
Cyclic residues in alpha/beta-peptide helix bundles: GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone with a cyclic beta-residue at position 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-28 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 36.764, 36.764, 47.054 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.530 - 2.000 |
| R-factor | 0.20336 |
| Rwork | 0.201 |
| R-free | 0.24542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3c3g |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.985 |
| 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] | 23.530 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 2446 | |
| <I/σ(I)> | 21.5 | 3.4 |
| Completeness [%] | 99.8 | 98.7 |
| Redundancy | 10.4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M magnesium chloride, 0.1 M HEPES pH 7.5, 30% v/v PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
