3WTL

Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein Complexed with Nitromethylene Analogue of Imidacloprid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	90
Detector technology	CCD
Collection date	2007-11-12
Detector	ADSC QUANTUM 210
Wavelength(s)	0.919
Spacegroup name	P 65
Unit cell lengths	74.741, 74.741, 351.003
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.590 - 2.300
R-factor	0.21
Rwork	0.210
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zju
RMSD bond length	0.006
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]	47.590	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.077	0.414
Number of reflections	48577
<I/σ(I)>		4.2
Completeness [%]	99.0	91.1
Redundancy	10.9	7.9

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 Nitromethylene Analogue of Imidacloprid, VAPOR DIFFUSION, temperature 293K