3TWE
Crystal Structure of the de novo designed peptide alpha4H
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 | 2011-02-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | I 41 |
| Unit cell lengths | 49.043, 49.043, 41.227 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.360 |
| R-factor | 0.1999 |
| Rwork | 0.197 |
| R-free | 0.25530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.960 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.380 |
| High resolution limit [Å] | 1.360 | 3.690 | 1.360 |
| Rmerge | 0.047 | 0.038 | 0.258 |
| Number of reflections | 10522 | ||
| <I/σ(I)> | 14.5 | ||
| Completeness [%] | 99.1 | 85.2 | 99.6 |
| Redundancy | 7.3 | 6.2 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293.15 | 48% PEG400, 0.1M CHES pH 9.0, vapor diffusion, hanging drop, temperature 293.15K |
