5CGN
Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 8
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 | 2014-06-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 56.690, 56.690, 51.650 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.090 - 2.200 |
| R-factor | 0.18514 |
| Rwork | 0.182 |
| R-free | 0.24735 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mgp |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.932 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.090 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 1.360 | |
| Number of reflections | 8711 | |
| <I/σ(I)> | 12.2 | 2.9 |
| Completeness [%] | 97.6 | 99.8 |
| Redundancy | 12.92 | 14.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M Sodium citrate tribasic pH 5.6 35% v/v tert-butanol |
