2W8G

Aplysia californica AChBP bound to in silico compound 35

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	2006-05-22
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	134.510, 173.628, 129.119
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	106.600 - 2.600
R-factor	0.203
Rwork	0.200
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c9t
RMSD bond length	0.018
RMSD bond angle	1.650
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.000	2.740
High resolution limit [Å]	2.600	2.600
Number of reflections	40542
<I/σ(I)>	5.6	1.1
Completeness [%]	87.5	87.5
Redundancy	2.5	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1