3BIX

Crystal structure of the extracellular esterase domain of Neuroligin-1

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]	130
Detector technology	CCD
Collection date	2007-02-15
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 32
Unit cell lengths	173.744, 173.744, 108.045
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.880 - 1.800
Rwork	0.185
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.810
High resolution limit [Å]	1.750	3.770	1.750
Rmerge	0.077	0.035	0.601
Number of reflections	360486
<I/σ(I)>	10.2
Completeness [%]	98.3	99.9	91.9
Redundancy	2.7	3.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.7	293	1.2 M tri-Sodium citrate, 0.1 M Tris, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K