1C4R

THE STRUCTURE OF THE LIGAND-BINDING DOMAIN OF NEUREXIN 1BETA: REGULATION OF LNS DOMAIN FUNCTION BY ALTERNATIVE SPLICING

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	110
Wavelength(s)	1.0712, 0.9791, 0.9793, 0.9221
Spacegroup name	P 21 21 2
Unit cell lengths	116.600, 195.900, 103.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.249
Rwork	0.249
R-free	0.27900
RMSD bond length	0.014
RMSD bond angle	27.600 *
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	2.600 *	2.600 *
Rmerge	0.095 *	0.495 *
Total number of observations	351083 *
Number of reflections	73128 *
Completeness [%]	98.1 *	82.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	21 *	pH 6.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	20 (mM)
3	1	drop		150 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop	1,2,3-heptanetriol	15 (%)
6	1	reservoir	mPEG5000	21 (%(w/v))
7	1	reservoir	sodium cacodylate	100 (mM)
8	1	reservoir	ammonium sulfate	200 (mM)