1UW6

X-ray structure of acetylcholine binding protein (AChBP) in complex with nicotine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2002-06-15
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	233.000, 267.422, 73.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.200
R-factor	0.22386
Rwork	0.222
R-free	0.26500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i9b
RMSD bond length	0.015 *
RMSD bond angle	1.460 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.094	0.589
Number of reflections	236373
<I/σ(I)>	9	1.7
Completeness [%]	86.0	38
Redundancy	8.0 *	1.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		TRIS PH 8.0, AMMONIUM SULFATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	0.1 (M)	pH8.0
2	1	drop	Nicotine	0.8 (mM)
3	1	drop	AChBP	10 (mg/ml)
4	1	reservoir	ammonium sulfate	2.1 (M)
5	1	reservoir	PEG200	1 (%)
6	1	reservoir	Tris	0.1 (M)	pH8.0