6CW1

Crystal structure of Neurexin-1 alpha ectodomain fragment, L2-L3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.10208
Spacegroup name	P 1 21 1
Unit cell lengths	87.144, 62.901, 113.061
Unit cell angles	90.00, 97.10, 90.00

Refinement procedure

Resolution	50.010 - 2.840
R-factor	0.2233
Rwork	0.222
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qcw
RMSD bond length	0.013
RMSD bond angle	1.508
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.010	2.950
High resolution limit [Å]	2.840	6.140	2.840
Rmerge	0.091	0.062	0.520
Rmeas	0.108	0.073	0.654
Rpim	0.058	0.037	0.391
Number of reflections	28540	2996	2555
<I/σ(I)>	15.2		2.2
Completeness [%]	98.4	99.5	89.1
Redundancy	3.4	3.6	2.4
CC(1/2)		0.994	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.9 M NaCITRATE, 0.1 M TRIS PH 8.0, 5 MM CACL2