8Q1T
X-ray structure of acetylcholine binding protein (AChBP) in complex with IOTA739
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-22 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.950, 117.850, 239.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.600 - 3.000 |
R-factor | 0.2302 |
Rwork | 0.230 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.356 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.600 | 3.107 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.217 | 1.906 |
Number of reflections | 43398 | 31167 |
<I/σ(I)> | 8.28 | |
Completeness [%] | 99.8 | |
Redundancy | 7.5 | |
CC(1/2) | 0.997 | 0.523 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350 3% Ammonium sulfate 1.8 M HEPES buffer 0.1M, pH 7.75 |