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 |