7DJI
Crystal structure of Lymnaea stagnalis Acetylcholine binding protein (AChBP) complexed with Paraherquamide A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-15 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 74.373, 74.373, 349.595 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.370 - 2.200 |
Rwork | 0.185 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zju |
RMSD bond length | 0.005 |
RMSD bond angle | 1.413 |
Data reduction software | XDS (VERSION Mar 15, 2019 BUILT=20191211) |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.374 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.071 | 0.713 |
Number of reflections | 55263 | |
<I/σ(I)> | 21.7 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.8 | 7.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 298 | 14.1-15.6% PEG 4000, Sodium Citrate buffer pH 5.0 |