3WTK
Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Thiacloprid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2007-07-15 |
Detector | Bruker DIP-6040 |
Wavelength(s) | 0.9 |
Spacegroup name | P 65 |
Unit cell lengths | 74.534, 74.534, 350.816 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.600 - 2.690 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zju |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.600 | 2.820 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.084 | 0.403 |
Number of reflections | 30084 | |
<I/σ(I)> | 9 | 3 |
Completeness [%] | 98.9 | 99.9 |
Redundancy | 2.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.7 | 293 | 0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM thiacloprid, VAPOR DIFFUSION, temperature 293K |