3WTM
Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Nitromethylene Analogue of Imidacloprid
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 | 2007-10-07 |
Detector | Bruker DIP-6040 |
Spacegroup name | P 65 |
Unit cell lengths | 74.812, 74.812, 351.402 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 17.970 - 2.480 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.600 |
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] | 17.970 | 2.610 |
High resolution limit [Å] | 2.480 | 2.480 |
Rmerge | 0.099 | 0.375 |
Number of reflections | 37742 | |
<I/σ(I)> | 11.9 | 4.4 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 5.2 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.7 | 293 | 0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM Nitromethylene Analogue of Imidacloprid, VAPOR DIFFUSION, temperature 293K |