5G37
MR structure of the binary mosquito larvicide BinAB at pH 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE CXI |
| Synchrotron site | SLAC LCLS |
| Beamline | CXI |
| Temperature [K] | 287 |
| Detector technology | PIXEL |
| Collection date | 2015-02-13 |
| Detector | CORNELL-SLAC |
| Wavelength(s) | 1.459 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.787, 96.996, 127.075 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.643 - 2.500 |
| R-factor | 0.2137 |
| Rwork | 0.211 |
| R-free | 0.26240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5foy |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.448 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.prime |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 5495157 | |
| <I/σ(I)> | 6.34 | 2.46 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 76.62 | 8.61 |
| CC(1/2) | 0.868 | 0.280 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | NATURALLY OCCURRING NANOCRYSTALS FORMED IN VIVO, pH 5 |
