3CAY
Crystal structure of Lipopeptide Detergent (LPD-12)
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 | 2006-08-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.484, 130.040, 42.807 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.200 |
R-factor | 0.1364 |
Rwork | 0.134 |
R-free | 0.17250 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 0.030 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Number of reflections | 124528 | |
Completeness [%] | 98.0 | 95.7 |
Redundancy | 3.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | 12% PEG 3350, 0.15 M potassium phosphate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 295 | 12% PEG 3350, 0.15 M potassium phosphate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K |