5X61
Crystal structure of Acetylcholinesterase Catalytic Subunit of the Malaria Vector Anopheles Gambiae, 3.4 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-20 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 61 |
| Unit cell lengths | 148.723, 148.723, 225.796 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.930 - 3.400 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ha2 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.929 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Number of reflections | 38760 | |
| <I/σ(I)> | 16.3 | |
| Completeness [%] | 64.0 | |
| Redundancy | 20.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES BUFFER, 1.6M AMMONIUM SULFATE, 0.1M SODIUM CHLORIDE |
