8XSU

Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein Q55R Mutant Complexed with Dinotefuran

This is a non-PDB format compatible entry.

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	2017-06-19
Detector	RAYONIX MX225HE
Wavelength(s)	1.0
Spacegroup name	P 65
Unit cell lengths	74.149, 74.149, 350.306
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.340 - 2.632
Rwork	0.196
R-free	0.25380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.527
Data reduction software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Data scaling software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Phasing software	MOLREP (Vers 11.9.02; 28.02.2022)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.340	47.340	2.760
High resolution limit [Å]	2.630	8.730	2.630
Rmerge	0.094	0.025	0.827
Rmeas	0.103	0.027	0.910
Rpim	0.043	0.012	0.379
Number of reflections	32196	915	4272
<I/σ(I)>	22
Completeness [%]	99.9	99.2	99.7
Redundancy	11.3	10.5	11.3
CC(1/2)	0.999	1.000	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	293	PEG4000 16.5 - 18.0% , sodium citrate 0.2M