3WTJ

Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Thiacloprid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-09-28
Detector	ADSC QUANTUM 210
Wavelength(s)	0.919
Spacegroup name	P 65
Unit cell lengths	74.509, 74.509, 350.961
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.500 - 2.240
R-factor	0.222
Rwork	0.222
R-free	0.26600
Structure solution method	Phaser
Starting model (for MR)	2zju
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.500	2.320
High resolution limit [Å]	2.240	2.240
Rmerge	0.091	0.438
Number of reflections	52522
<I/σ(I)>	37.2	6.2
Completeness [%]	99.9	100
Redundancy	11.2	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.7	293	0.2M Na citrate pH 5.7, 15-22% PEG3350, 0.5mM thiacloprid, VAPOR DIFFUSION, temperature 293K