3HEW
Cyclic residues in alpha/beta-peptide helix bundles: GCN4-pLI side chain sequence on an (alpha-alpha-beta) backbone with a cyclic beta-residue at position 22
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-14 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 38.456, 38.456, 46.788 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.510 - 2.000 |
R-factor | 0.21516 |
Rwork | 0.213 |
R-free | 0.25465 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c3g |
RMSD bond length | 0.015 |
RMSD bond angle | 2.177 |
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] | 23.510 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 2646 | |
<I/σ(I)> | 35.9 | 7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 18.1 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.7 M ammonium tartrate, 0.1 M Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |