2Y5M
STRUCTURE OF LINEAR GRAMICIDIN D OBTAINED USING TYPE I CRYSTALS GROWN IN A 7.7 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 | 2008-08-05 |
Detector | MARRESEARCH MX-300 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.639, 62.794, 30.664 |
Unit cell angles | 90.00, 100.02, 90.00 |
Refinement procedure
Resolution | 30.200 - 1.080 |
R-factor | 0.13167 |
Rwork | 0.130 |
R-free | 0.15461 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1al4 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.704 |
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] | 30.200 | 1.100 |
High resolution limit [Å] | 1.080 | 1.080 |
Rmerge | 0.100 | 0.420 |
Number of reflections | 46435 | |
<I/σ(I)> | 15.8 | 2.4 |
Completeness [%] | 94.9 | 65 |
Redundancy | 6.3 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 5.5 | 25 %(W/V) PEG 3350, 0.2 M LISO4, 0.1 M BIS TRIS AT PH 5.5, LIPIDIC CUBIC PHASE OF 7.7 MAG (SN-1-O-(CIS-7)TETRADECENYLGLYCEROL) WAS USED IN A RATIO OF 1:20 (MOL/MOL) GRAMICIDIN D TO LIPID. |