5CGO
Structure of quasiracemic Ala-Magainin 2 with a beta amino acid substitution at position 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 |
| Unit cell lengths | 24.850, 27.000, 29.960 |
| Unit cell angles | 109.76, 102.35, 90.23 |
Refinement procedure
| Resolution | 27.450 - 1.500 |
| R-factor | 0.17462 |
| Rwork | 0.172 |
| R-free | 0.23889 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mgp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.773 |
| 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] | 27.450 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.310 | |
| Number of reflections | 10964 | |
| <I/σ(I)> | 14.94 | 5.02 |
| Completeness [%] | 96.1 | 94.4 |
| Redundancy | 3.75 | 3.75 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 35% v/v tert-butanol |
