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 |