5FOY
De novo structure of the binary mosquito larvicide BinAB at pH 7
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 | 2013-11-09 |
| Detector | PIXEL ARRAY DETECTOR CSPAD |
| Wavelength(s) | 1.212 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.887, 97.416, 128.354 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.687 - 2.250 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.20010 |
| Structure solution method | MIRAS |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.359 |
| Data reduction software | cctbx.xfel |
| Data scaling software | cctbx.prime |
| Phasing software | SHELXD |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.500 | 2.290 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 6591964 | |
| <I/σ(I)> | 8.8 | 5.7 |
| Completeness [%] | 99.7 | 99.7 |
| Redundancy | 65.9 | 4.8 |
| CC(1/2) | 0.968 | 0.262 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | NATURALLY OCCURRING NANOCRYSTALS FORMED IN VIVO, pH 7 |
