8P11
X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL003044.
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) | 0.979499 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.250, 120.640, 240.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.310 - 1.900 |
| R-factor | 0.21872 |
| Rwork | 0.217 |
| R-free | 0.24405 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.460 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.160 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.114 | |
| Number of reflections | 174607 | 17257 |
| <I/σ(I)> | 16.4 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.8 | |
| CC(1/2) | 1.000 | 0.491 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG3350 3% Ammonium sulphate 1.8M HEPES buffer 0.1M, pH 7.75 |
