7NDP
X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856.
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-04 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.976238 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.700, 121.100, 241.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.530 - 2.000 |
R-factor | 0.21401 |
Rwork | 0.212 |
R-free | 0.24322 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uw6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.563 |
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] | 30.000 | 2.000 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 150840 | 201 |
<I/σ(I)> | 12.77 | 1.32 |
Completeness [%] | 99.1 | 99.1 |
Redundancy | 13.678 | |
CC(1/2) | 0.999 | 0.529 |
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 |