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