2XDC
Structure of linear gramicidin D obtained using Type I crystals grown in a lipid cubic phase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-16 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.500, 62.560, 30.530 |
| Unit cell angles | 90.00, 99.97, 90.00 |
Refinement procedure
| Resolution | 27.150 - 1.700 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1al4 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.622 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.300 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.070 | 0.260 |
| Number of reflections | 11779 | |
| <I/σ(I)> | 13.1 | 2 |
| Completeness [%] | 94.2 | 80.8 |
| Redundancy | 3 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 9 | 20 %(W/V) POLYETHYLENE GLYCOL (PEG) 6000, 0.1 M BICINE, PH 9.0. LIPIDIC CUBIC PHASE OF MONOOLEIN WAS USED IN A RATIO OF 1:20 (MOL/MOL) GRAMICIDIN D TO MONOOLEIN |
