3HF0
alpha/beta-Peptide helix crystallized from detergent solution: GCN4-pLI side chain sequence on an (alpha-alpha-beta-alpha-beta-alpha-beta) backbone with 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 | 2008-08-02 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 47.990, 47.990, 100.533 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.000 - 2.100 |
R-factor | 0.21988 |
Rwork | 0.219 |
R-free | 0.23272 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oxk |
RMSD bond length | 0.014 |
RMSD bond angle | 2.202 |
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] | 24.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 3697 | |
<I/σ(I)> | 22.6 | 4.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.9 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.5 M sodium chloride, 5 mM cetyl-trimetylammonium bromide, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |