3HEZ
Exploring backbone pattern in alpha/beta-peptide helix bundles: The GCN4-pLI side chain sequence on different (alpha-alpha-alpha-beta) backbones
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-27 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 31.817, 43.082, 37.001 |
Unit cell angles | 90.00, 96.00, 90.00 |
Refinement procedure
Resolution | 22.840 - 2.000 |
R-factor | 0.1592 |
Rwork | 0.157 |
R-free | 0.20148 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gcm |
RMSD bond length | 0.009 |
RMSD bond angle | 1.644 |
Data reduction software | PROTEUM PLUS (PLUS) |
Data scaling software | PROTEUM PLUS (PLUS) |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.840 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 6732 | |
<I/σ(I)> | 20 | 4.7 |
Completeness [%] | 97.8 | 91.9 |
Redundancy | 4.4 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris pH 8.5, 25% v/v tert-butanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K |