4G3B
Crystal structure of the de novo designed fluorinated peptide alpha4F3d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-02-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 30.819, 39.251, 41.233 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 11.160 - 1.190 |
R-factor | 0.1782 |
Rwork | 0.178 |
R-free | 0.18720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.080 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.190 |
Number of reflections | 16392 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293.15 | 55% PEG400, 0.1M Tris pH 7.8, vapor diffusion, hanging drop, temperature 293.15K |