7NDV

X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888.

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 EIGER X 16M
Wavelength(s)	0.976238
Spacegroup name	P 21 21 21
Unit cell lengths	76.680, 121.270, 239.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.270 - 1.700
R-factor	0.20644
Rwork	0.205
R-free	0.23314
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1uw6
RMSD bond length	0.009
RMSD bond angle	1.612
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]	50.000	1.700
High resolution limit [Å]	1.700	1.700
Number of reflections	244709	38136
<I/σ(I)>	14.05
Completeness [%]	100.0
Redundancy	13.67
CC(1/2)	0.999	0.413

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