3C3H
alpha/beta-Peptide helix bundles: A GCN4-pLI analogue with an (alpha-alpha-beta) backbone and cyclic beta residues
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-13 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 35.507, 35.507, 45.774 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.010 - 2.200 |
R-factor | 0.23468 |
Rwork | 0.233 |
R-free | 0.27771 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 2.219 |
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] | 35.500 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 1690 | |
<I/σ(I)> | 12.6 | 3.7 |
Completeness [%] | 98.8 | 92.7 |
Redundancy | 5.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris pH 8.5, 0.7 M diammonium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |