4M6E
The high resolution structure of tyrocidine A reveals an amphipathic dimer
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-01 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.8984 |
Spacegroup name | H 3 2 |
Unit cell lengths | 33.390, 33.390, 50.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.000 - 0.950 |
R-factor | 0.1347 |
Rwork | 0.134 |
R-free | 0.14220 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.017 |
RMSD bond angle | 1.787 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | SnB |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.000 |
High resolution limit [Å] | 0.950 |
Rmerge | 0.040 |
Number of reflections | 6973 |
<I/σ(I)> | 48 |
Completeness [%] | 98.8 |
Redundancy | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | tyrocidine in methanol at 30 mg/mL, reservoir methanol:MPD (1:5 v/v), VAPOR DIFFUSION, SITTING DROP, temperature 291K |