8XSW

Crystal Structure of Lymnaea stagnalis Acetylcholine-Binding Protein 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 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	74.728, 74.728, 351.295
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.600 - 2.600
Rwork	0.166
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.082
Data reduction software	HKL-2000
Data scaling software	Aimless (0.7.9)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.600	47.600	2.690
High resolution limit [Å]	2.600	5.600	2.600
Rmerge	0.079	0.046	0.368
Number of reflections	34047	3445	3394
<I/σ(I)>	31.2	64.6	7.2
Completeness [%]	99.8	99.2	99.9
Redundancy	11.5	10.8	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.7	293	0.2 M Na citrate, pH 5.7, 15-22% PEG3350, 1.0 mM dinotefuran,