3CBA
Crystal structure of Lipopeptide Detergent (LPD-12) (Hexagonal)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 64 |
Unit cell lengths | 127.261, 127.261, 42.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 10.000 - 1.700 |
R-factor | 0.1874 |
Rwork | 0.184 |
R-free | 0.24340 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.020 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 43769 | |
Completeness [%] | 99.6 | 98.4 |
Redundancy | 5.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | 12% PEG 3350, 0.15M potassium phosphate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |