3C3G
alpha/beta-Peptide helix bundles: The GCN4-pLI side chain sequence on an (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 | 2007-03-26 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 38.414, 38.414, 46.494 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.450 - 1.800 |
R-factor | 0.2093 |
Rwork | 0.208 |
R-free | 0.24433 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 2.139 |
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] | 46.500 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 3507 | |
<I/σ(I)> | 36.4 | 4.4 |
Completeness [%] | 98.5 | 92.9 |
Redundancy | 12.5 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES pH 7.5, 4.3 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K |