3O9M
Co-crystallization studies of full length recombinant BChE with cocaine offers insights into cocaine detoxification
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 150.392, 150.392, 142.448 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 142.450 - 2.980 |
| R-factor | 0.2252 |
| Rwork | 0.223 |
| R-free | 0.26232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.761 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.700 | 3.300 |
| High resolution limit [Å] | 2.980 | 2.980 |
| Number of reflections | 34043 | |
| Completeness [%] | 99.6 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
