2Y6N
STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 8.8 MONOACYLGLYCEROL 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 | 2009-02-22 |
Detector | MARRESEARCH MX-300 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.616, 62.783, 30.602 |
Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
Resolution | 30.150 - 1.260 |
R-factor | 0.14917 |
Rwork | 0.148 |
R-free | 0.16983 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y5m |
RMSD bond length | 0.020 |
RMSD bond angle | 1.775 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.150 | 1.290 |
High resolution limit [Å] | 1.260 | 1.260 |
Rmerge | 0.060 | 0.280 |
Number of reflections | 28320 | |
<I/σ(I)> | 22.6 | 3.5 |
Completeness [%] | 96.4 | 76.9 |
Redundancy | 7.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 30 %(W/V) POLYETHYLENE GLYCOL (PEG) 8000, 0.2 M NH4SO4, LIPIDIC CUBIC PHASE OF 8.8 MAG (SN-1-O-(CIS-8)HEXADECENYLGLYCEROL) WAS USED IN A RATIO OF 1:20 (MOL/MOL) GRAMICIDIN D TO 8.8 MAG. |