2W8F

Aplysia californica AChBP bound to in silico compound 31

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-10
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	76.800, 76.800, 725.520
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.760 - 2.700
R-factor	0.239
Rwork	0.237
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c9t
RMSD bond length	0.018
RMSD bond angle	1.591
Data reduction software	EVAL15
Data scaling software	EVAL15
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.600	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	67908
<I/σ(I)>	9.9	1.6
Completeness [%]	98.0	98
Redundancy	8.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1