2BYP

Crystal structure of Aplysia californica AChBP in complex with alpha- conotoxin ImI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Spacegroup name	I 2 2 2
Unit cell lengths	130.284, 140.036, 153.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.070
R-factor	0.174
Rwork	0.173
R-free	0.21400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2byn
RMSD bond length	0.013
RMSD bond angle	1.416
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.070
Rmerge	0.080
Number of reflections	86601
<I/σ(I)>	29.5
Completeness [%]	99.9
Redundancy	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		11-14% PEG-4000, 0.1 M TRIS, PH 7.5, 0.4 M MGCL2