3C3F
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (alpha-alpha-alpha-beta) backbone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-02 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.237, 35.230, 47.309 |
Unit cell angles | 90.00, 90.87, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.000 |
R-factor | 0.18881 |
Rwork | 0.185 |
R-free | 0.26480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.745 |
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] | 47.300 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 7896 | |
<I/σ(I)> | 17 | 3.8 |
Completeness [%] | 98.2 | 90.1 |
Redundancy | 8.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2 M ammonium sulfate, 0.1 M Tris pH 8.5, 30% v/v PEG 550 monomethyl ether, VAPOR DIFFUSION, HANGING DROP, temperature 298K |