1L3W

C-cadherin Ectodomain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2000-07-30
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	127.166, 75.135, 129.813
Unit cell angles	90.00, 105.50, 90.00

Refinement procedure

Resolution	20.000 - 3.080
R-factor	0.243
Rwork	0.243
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1edh 1ff5 1ncg
RMSD bond length	0.015
RMSD bond angle	26.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.190
High resolution limit [Å]	3.000	3.080
Rmerge	0.109 *	0.372 *
Total number of observations	203026 *
Number of reflections	21748
<I/σ(I)>	7.7	2
Completeness [%]	98.5	98.3
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	293	PEG 4000, Na-cacodylate, NaCl, MnCl2, CaCl2, pH 5.0, VAPOR DIFFUSION, HANGING DROP at 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris	10 (mM)	pH8.0
3	1	drop		5 (mM)
4	1	drop		0.15 (M)
5	1	reservoir	PEG4000	5-8 (%)
6	1	reservoir	sodium cacodylate	10 (mM)	pH5.0
7	1	reservoir		0.3 (M)
8	1	reservoir		30 (mM)
9	1	reservoir		5 (mM)